(4-methylphenyl)methanesulfonate; 2-propan-2-ylbenzenesulfonic acid

Systemtic Name: (4-methylphenyl)methanesulfonate; 2-propan-2-ylbenzenesulfonic acid Openeye Name: 2-isopropylbenzenesulfonic acid; p-tolylmethanesulfonate CAS Name: (4-methylphenyl)methanesulfonate; 2-propan-2-ylbenzenesulfonic acid IUPAC Name: (4-methylphenyl)methanesulfonate; 2-propan-2-ylbenzenesulfonic acid Traditional Name: 2-isopropylbesylic acid; p-tolylmethanesulfonate Formula: C17H21O6S2- MolecularWeight: 385.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)[O-].CC(C)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)[O-].CC(C)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C9H12O3S.C8H10O3S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;1-7-2-4-8(5-3-7)6-12(9,10)11/h3-7H,1-2H3,(H,10,11,12);2-5H,6H2,1H3,(H,9,10,11)/p-1