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

Systemtic Name: 4-chloranyl-2-methyl-5-sulfino-benzoic acid Openeye Name: 4-chloro-2-methyl-5-sulfino-benzoic acid CAS Name: 4-chloro-2-methyl-5-sulfinobenzoic acid IUPAC Name: 4-chloro-2-methyl-5-sulfinobenzoic acid Traditional Name: 4-chloro-2-methyl-5-sulfino-benzoic acid Formula: C8H7ClO4S MolecularWeight: 234.65678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClO4S/c1-4-2-6(9)7(14(12)13)3-5(4)8(10)11/h2-3H,1H3,(H,10,11)(H,12,13)