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

Systemtic Name: 2-methyl-4-pentyl-5-sulfino-benzoic acid Openeye Name: 2-methyl-4-pentyl-5-sulfino-benzoic acid CAS Name: 2-methyl-4-pentyl-5-sulfinobenzoic acid IUPAC Name: 2-methyl-4-pentyl-5-sulfinobenzoic acid Traditional Name: 4-amyl-2-methyl-5-sulfino-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

InChI

InChI=1S/C13H18O4S/c1-3-4-5-6-10-7-9(2)11(13(14)15)8-12(10)18(16)17/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17)