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00000371F07C3E00000001000000000000000000489000000000244891224489000048000000001A000008000008040080020200000002008000004000000000000020000008000000000914000000000010000000000110000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobuta-1,3-diene-1,2,3,4-tetrol;methanol;oxovanadium;2,3,4-trihydroxycyclobuta-1,3-dien-1-olate;vanadium;dihydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobuta-1,3-diene-1,2,3,4-tetrol;methanol;oxovanadium;2,3,4-trihydroxy-1-cyclobuta-1,3-dienolate;vanadium;dihydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobuta-1,3-diene-1,2,3,4-tetrol;methanol;oxovanadium;2,3,4-trihydroxycyclobuta-1,3-dien-1-olate;vanadium;dihydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobuta-1,3-diene-1,2,3,4-tetrol;methanol;oxovanadium;2,3,4-trihydroxycyclobuta-1,3-dien-1-olate;vanadium;dihydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobuta-1,3-diene-1,2,3,4-tetrol;methanol;oxidanylidenevanadium;2,3,4-tris(oxidanyl)cyclobuta-1,3-dien-1-olate;vanadium;dihydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobuta-1,3-diene-1,2,3,4-tetrol;ketovanadium;methanol;2,3,4-trihydroxycyclobuta-1,3-dien-1-olate;vanadium;dihydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/12C4H4O4.32CH4O.2H2O.22O.24V/c12*5-1-2(6)4(8)3(1)7;32*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*5-8H;32*2H,1H3;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XPBRBSQKUZLUTL-UHFFFAOYSA-F Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 4019.47201 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C80H172O104V24-8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 4020.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.O.O.O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].[V].[V] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)O)O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.C1(=C(C(=C1O)[O-])O)O.O.O.O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].O=[V].[V].[V] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2020 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 4019.47201 208 0 0 0 0 0 0 0 70 -1