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

Systemtic Name: 4-ethyl-2-methyl-5-sulfino-benzoic acid Openeye Name: 4-ethyl-2-methyl-5-sulfino-benzoic acid CAS Name: 4-ethyl-2-methyl-5-sulfinobenzoic acid IUPAC Name: 4-ethyl-2-methyl-5-sulfinobenzoic acid Traditional Name: 4-ethyl-2-methyl-5-sulfino-benzoic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

InChI

InChI=1S/C10H12O4S/c1-3-7-4-6(2)8(10(11)12)5-9(7)15(13)14/h4-5H,3H2,1-2H3,(H,11,12)(H,13,14)