145858 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 6 6 7 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 3 4 4 6 8 5 7 9 10 11 7 17 18 12 19 13 20 14 21 15 22 13 23 24 16 25 16 26 27 2 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 4.666 3.8 5.5321 3.8 6.3981 4.666 5.5321 2.9061 2.9061 6.3981 7.2641 2 2 7.2641 8.1301 8.1301 4.666 6.069 2.9132 2.9132 5.8612 7.2641 1.4643 1.4643 7.2641 8.6671 8.6671 -0.2673 1.2327 0.2327 0.2327 -0.2673 1.7327 1.2327 1.7673 -0.302 -1.2673 0.2327 1.2535 0.2119 -1.7673 -0.2673 -1.2673 2.3527 1.5427 2.3873 -0.922 -1.5773 0.8527 1.5656 -0.1002 -2.3873 0.0427 -1.5773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 2 3 4 5 5 6 8 9 10 11 12 14 15 3 4 4 6 8 7 9 10 11 7 12 13 14 15 13 16 16 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 220 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C070200000000000000000000000000000000000000034608000000000000091F400001A00000000000C048098003006C00004408802A05200000208002420000888010608C80C263284351A823920A4C01108A98788C8E08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenylchromenylium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-1-benzopyrylium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenylchromenylium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenylchromenylium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenylchromenylium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-1-benzopyrylium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NWKFECICNXDNOQ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.080989970 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H11O+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.080989970 16 0 0 0 0 0 0 0 1 1