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

Systemtic Name: 4-cyclohexyl-2-methyl-5-sulfino-benzoic acid Openeye Name: 4-cyclohexyl-2-methyl-5-sulfino-benzoic acid CAS Name: 4-cyclohexyl-2-methyl-5-sulfinobenzoic acid IUPAC Name: 4-cyclohexyl-2-methyl-5-sulfinobenzoic acid Traditional Name: 4-cyclohexyl-2-methyl-5-sulfino-benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)O)C2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)O)C2CCCCC2

InChI

InChI=1S/C14H18O4S/c1-9-7-12(10-5-3-2-4-6-10)13(19(17)18)8-11(9)14(15)16/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18)