2-chloranyl-3-methoxycarbonyl-4-methyl-benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-3-methoxycarbonyl-4-methyl-benzenecarbothioic S-acid Openeye Name: 2-chloro-3-methoxycarbonyl-4-methyl-benzenecarbothioic S-acid CAS Name: 2-chloro-3-methoxycarbonyl-4-methylbenzenecarbothioic S-acid IUPAC Name: 2-chloro-3-methoxycarbonyl-4-methylbenzenecarbothioic S-acid Traditional Name: 3-carbomethoxy-2-chloro-4-methyl-thiobenzoic acid Formula: C10H9ClO3S MolecularWeight: 244.69466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)S)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)S)Cl)C(=O)OC

InChI

InChI=1S/C10H9ClO3S/c1-5-3-4-6(10(13)15)8(11)7(5)9(12)14-2/h3-4H,1-2H3,(H,13,15)