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

Systemtic Name: 2-methyl-4-propyl-5-sulfino-benzoic acid Openeye Name: 2-methyl-4-propyl-5-sulfino-benzoic acid CAS Name: 2-methyl-4-propyl-5-sulfinobenzoic acid IUPAC Name: 2-methyl-4-propyl-5-sulfinobenzoic acid Traditional Name: 2-methyl-4-propyl-5-sulfino-benzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)O

InChI

InChI=1S/C11H14O4S/c1-3-4-8-5-7(2)9(11(12)13)6-10(8)16(14)15/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15)