2-methoxy-4-(1-sulfanylbutoxy)benzenecarbothioic S-acid

Systemtic Name: 2-methoxy-4-(1-sulfanylbutoxy)benzenecarbothioic S-acid Openeye Name: 2-methoxy-4-(1-sulfanylbutoxy)benzenecarbothioic S-acid CAS Name: 4-(1-mercaptobutoxy)-2-methoxybenzenecarbothioic S-acid IUPAC Name: 2-methoxy-4-(1-sulfanylbutoxy)benzenecarbothioic S-acid Traditional Name: 4-(1-mercaptobutoxy)-2-methoxy-thiobenzoic acid Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC1=CC(=C(C=C1)C(=O)S)OC)S

Isomeric SMILES

CCCC(OC1=CC(=C(C=C1)C(=O)S)OC)S

InChI

InChI=1S/C12H16O3S2/c1-3-4-11(16)15-8-5-6-9(12(13)17)10(7-8)14-2/h5-7,11,16H,3-4H2,1-2H3,(H,13,17)