2-methyl-4-propan-2-yl-5-sulfino-benzoic acid

Systemtic Name: 2-methyl-4-propan-2-yl-5-sulfino-benzoic acid Openeye Name: 4-isopropyl-2-methyl-5-sulfino-benzoic acid CAS Name: 2-methyl-4-propan-2-yl-5-sulfinobenzoic acid IUPAC Name: 2-methyl-4-propan-2-yl-5-sulfinobenzoic acid Traditional Name: 4-isopropyl-2-methyl-5-sulfino-benzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-6(2)8-4-7(3)9(11(12)13)5-10(8)16(14)15/h4-6H,1-3H3,(H,12,13)(H,14,15)