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

Systemtic Name: 4-butan-2-yl-2-methyl-5-sulfino-benzoic acid Openeye Name: 2-methyl-4-sec-butyl-5-sulfino-benzoic acid CAS Name: 4-butan-2-yl-2-methyl-5-sulfinobenzoic acid IUPAC Name: 4-butan-2-yl-2-methyl-5-sulfinobenzoic acid Traditional Name: 2-methyl-4-sec-butyl-5-sulfino-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

Isomeric SMILES

CCC(C)C1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

InChI

InChI=1S/C12H16O4S/c1-4-7(2)9-5-8(3)10(12(13)14)6-11(9)17(15)16/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)