67326531 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 28 29 16 8 8 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 4 4 4 4 5 5 6 6 6 6 7 8 8 9 10 11 11 12 12 13 13 14 14 15 16 16 17 2 3 10 29 5 8 18 19 7 10 7 9 20 21 11 9 12 13 14 15 22 16 23 17 24 15 25 26 17 27 28 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 2 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 28 29 6.4144 7.2746 5.5427 4.666 5.5321 4.666 5.5321 3.8 3.8 6.426 6.426 2.9061 2.9061 7.3321 7.3321 2 2 5.0646 4.2675 4.2675 5.0646 6.4188 2.9132 2.9132 7.8678 7.8678 1.4643 1.4643 7.2674 0.9697 1.4796 1.4596 -0.0649 -0.5649 -2.0649 -1.5649 -0.5649 -1.5649 -0.0303 -2.0996 -0.0303 -2.0996 -0.5441 -1.5858 -0.5441 -1.5858 0.41 0.41 -2.5399 -2.5399 -2.7196 0.5897 -2.7196 -0.2321 -1.8978 -0.2321 -1.8978 2.0996 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 8 9 10 11 12 13 14 16 7 10 11 9 12 13 14 15 16 17 15 17 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 305 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07030004000000000000000000000000000000000003060C0000000000000C14000001804000800000C008058003001800000828002204200604200402000000888180000880820228011108020002080000888070080C00E80000080001400008000050000280000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 9,10-dihydroanthracene-1-sulfinic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 9,10-dihydroanthracene-1-sulfinic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 9,10-dihydroanthracene-1-sulfinic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 9,10-dihydroanthracene-1-sulfinic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 9,10-dihydroanthracene-1-sulfinic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 9,10-dihydroanthracene-1-sulfinic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H12O2S/c15-17(16)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-7H,8-9H2,(H,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VQCKPLCNFJYJDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.05580079 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H12O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2=C(CC3=CC=CC=C31)C(=CC=C2)S(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2=C(CC3=CC=CC=C31)C(=CC=C2)S(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.05580079 17 0 0 0 0 0 0 0 1 -1