4-methyl-5-nonyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid

Systemtic Name: 4-methyl-5-nonyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 2-hydroxy-4-methyl-5-nonyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 2-hydroxy-4-methyl-5-nonyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-5-nonyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 2-hydroxy-4-methyl-5-nonyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C31H40O4S MolecularWeight: 508.7119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3)O)S(=O)(=O)O

InChI

InChI=1S/C31H40O4S/c1-4-5-6-7-8-9-11-16-28-22-30(36(33,34)35)31(32)29(24(28)3)21-25-17-19-27(20-18-25)23(2)26-14-12-10-13-15-26/h10,12-15,17-20,22-23,32H,4-9,11,16,21H2,1-3H3,(H,33,34,35)