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

Systemtic Name: 4-methyl-5-(2-methylheptan-2-yl)-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 5-(1,1-dimethylhexyl)-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 2-hydroxy-4-methyl-5-(2-methylheptan-2-yl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-5-(2-methylheptan-2-yl)-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 5-(1,1-dimethylhexyl)-2-hydroxy-4-methyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C30H38O4S MolecularWeight: 494.68532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3)O)S(=O)(=O)O

InChI

InChI=1S/C30H38O4S/c1-6-7-11-18-30(4,5)27-20-28(35(32,33)34)29(31)26(22(27)3)19-23-14-16-25(17-15-23)21(2)24-12-9-8-10-13-24/h8-10,12-17,20-21,31H,6-7,11,18-19H2,1-5H3,(H,32,33,34)