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

Systemtic Name: 5-decyl-4-methyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 5-decyl-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 5-decyl-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 5-decyl-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 5-decyl-2-hydroxy-4-methyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C32H42O4S MolecularWeight: 522.73848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C(=C1C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C(=C1C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3)O)S(=O)(=O)O

InChI

InChI=1S/C32H42O4S/c1-4-5-6-7-8-9-10-12-17-29-23-31(37(34,35)36)32(33)30(25(29)3)22-26-18-20-28(21-19-26)24(2)27-15-13-11-14-16-27/h11,13-16,18-21,23-24,33H,4-10,12,17,22H2,1-3H3,(H,34,35,36)