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

Systemtic Name: 4-methyl-2-oxidanyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Openeye Name: 2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-3-[[4-(1-phenylethyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 2-hydroxy-4-methyl-3-[4-(1-phenylethyl)benzyl]besylic acid Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)O)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)O)CC2=CC=C(C=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C22H22O4S/c1-15-8-13-21(27(24,25)26)22(23)20(15)14-17-9-11-19(12-10-17)16(2)18-6-4-3-5-7-18/h3-13,16,23H,14H2,1-2H3,(H,24,25,26)