5-(1,3-diphenylbutyl)-3-[(2-methylphenyl)methyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-(1,3-diphenylbutyl)-3-[(2-methylphenyl)methyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-(1,3-diphenylbutyl)-2-hydroxy-3-(o-tolylmethyl)benzenesulfonic acid CAS Name: 5-(1,3-diphenylbutyl)-2-hydroxy-3-[(2-methylphenyl)methyl]benzenesulfonic acid IUPAC Name: 5-(1,3-diphenylbutyl)-2-hydroxy-3-[(2-methylphenyl)methyl]benzenesulfonic acid Traditional Name: 5-(1,3-diphenylbutyl)-2-hydroxy-3-(2-methylbenzyl)besylic acid Formula: C30H30O4S MolecularWeight: 486.6218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(C(=CC(=C2)C(CC(C)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CC2=C(C(=CC(=C2)C(CC(C)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)O)O

InChI

InChI=1S/C30H30O4S/c1-21-11-9-10-16-25(21)18-27-19-26(20-29(30(27)31)35(32,33)34)28(24-14-7-4-8-15-24)17-22(2)23-12-5-3-6-13-23/h3-16,19-20,22,28,31H,17-18H2,1-2H3,(H,32,33,34)