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

Systemtic Name: 5-cyclohexyl-4-methyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 5-cyclohexyl-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 5-cyclohexyl-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 5-cyclohexyl-2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 5-cyclohexyl-2-hydroxy-4-methyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C28H32O4S MolecularWeight: 464.61628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2CCCCC2)S(=O)(=O)O)O)CC3=CC=C(C=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C=C1C2CCCCC2)S(=O)(=O)O)O)CC3=CC=C(C=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C28H32O4S/c1-19(22-9-5-3-6-10-22)23-15-13-21(14-16-23)17-26-20(2)25(24-11-7-4-8-12-24)18-27(28(26)29)33(30,31)32/h3,5-6,9-10,13-16,18-19,24,29H,4,7-8,11-12,17H2,1-2H3,(H,30,31,32)