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

Systemtic Name: 3-ethyl-5-methyl-2-oxidanyl-4-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 3-ethyl-2-hydroxy-5-methyl-4-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 3-ethyl-2-hydroxy-5-methyl-4-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 3-ethyl-2-hydroxy-5-methyl-4-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 3-ethyl-2-hydroxy-5-methyl-4-[4-(1-phenylethyl)benzyl]besylic acid Formula: C24H26O4S MolecularWeight: 410.52584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1O)S(=O)(=O)O)C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC(=C1O)S(=O)(=O)O)C)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C24H26O4S/c1-4-21-22(16(2)14-23(24(21)25)29(26,27)28)15-18-10-12-20(13-11-18)17(3)19-8-6-5-7-9-19/h5-14,17,25H,4,15H2,1-3H3,(H,26,27,28)