2-chloranyl-4-methyl-3-propan-2-yloxycarbonyl-benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-4-methyl-3-propan-2-yloxycarbonyl-benzenecarbothioic S-acid Openeye Name: 2-chloro-3-isopropoxycarbonyl-4-methyl-benzenecarbothioic S-acid CAS Name: 2-chloro-4-methyl-3-[oxo(propan-2-yloxy)methyl]benzenecarbothioic S-acid IUPAC Name: 2-chloro-4-methyl-3-propan-2-yloxycarbonylbenzenecarbothioic S-acid Traditional Name: 2-chloro-3-isopropoxycarbonyl-4-methyl-thiobenzoic acid Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3S/c1-6(2)16-11(14)9-7(3)4-5-8(10(9)13)12(15)17/h4-6H,1-3H3,(H,15,17)