4-methyl-2-oxidanyl-5-(2-phenylpropan-2-yl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-oxidanyl-5-(2-phenylpropan-2-yl)benzenesulfonic acid Openeye Name: 2-hydroxy-4-methyl-5-(1-methyl-1-phenyl-ethyl)benzenesulfonic acid CAS Name: 2-hydroxy-4-methyl-5-(2-phenylpropan-2-yl)benzenesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-5-(2-phenylpropan-2-yl)benzenesulfonic acid Traditional Name: 5-cumyl-2-hydroxy-4-methyl-besylic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)(C)C2=CC=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)(C)C2=CC=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C16H18O4S/c1-11-9-14(17)15(21(18,19)20)10-13(11)16(2,3)12-7-5-4-6-8-12/h4-10,17H,1-3H3,(H,18,19,20)