4-cyclobutyl-2-methyl-5-sulfino-benzoic acid

Systemtic Name: 4-cyclobutyl-2-methyl-5-sulfino-benzoic acid Openeye Name: 4-cyclobutyl-2-methyl-5-sulfino-benzoic acid CAS Name: 4-cyclobutyl-2-methyl-5-sulfinobenzoic acid IUPAC Name: 4-cyclobutyl-2-methyl-5-sulfinobenzoic acid Traditional Name: 4-cyclobutyl-2-methyl-5-sulfino-benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)O)C2CCC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)O)C2CCC2

InChI

InChI=1S/C12H14O4S/c1-7-5-10(8-3-2-4-8)11(17(15)16)6-9(7)12(13)14/h5-6,8H,2-4H2,1H3,(H,13,14)(H,15,16)