2-[2-chloranyl-4-methoxy-3-oxidanyl-6-(3-sulfanyl-2H-1,2,3,4-tetrazol-4-yl)phenyl]ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-methoxy-3-oxidanyl-6-(3-sulfanyl-2H-1,2,3,4-tetrazol-4-yl)phenyl]ethanoic acid Openeye Name: 2-[2-chloro-3-hydroxy-4-methoxy-6-(3-sulfanyl-2H-tetrazol-4-yl)phenyl]acetic acid CAS Name: 2-[2-chloro-3-hydroxy-6-(3-mercapto-2H-tetrazol-4-yl)-4-methoxyphenyl]acetic acid IUPAC Name: 2-[2-chloro-3-hydroxy-4-methoxy-6-(3-sulfanyl-2H-tetrazol-4-yl)phenyl]acetic acid Traditional Name: 2-[2-chloro-3-hydroxy-6-(3-mercapto-2H-tetrazol-4-yl)-4-methoxy-phenyl]acetic acid Formula: C10H11ClN4O4S MolecularWeight: 318.73674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)N2C=NNN2S)CC(=O)O)Cl)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)N2C=NNN2S)CC(=O)O)Cl)O

InChI

InChI=1S/C10H11ClN4O4S/c1-19-7-3-6(14-4-12-13-15(14)20)5(2-8(16)17)9(11)10(7)18/h3-4,13,18,20H,2H2,1H3,(H,16,17)