[3,4-bis(oxidanyl)phenyl] carbamimidothioate; ethanoic acid

Systemtic Name: [3,4-bis(oxidanyl)phenyl] carbamimidothioate; ethanoic acid Openeye Name: acetic acid; 2-(3,4-dihydroxyphenyl)isothiourea CAS Name: acetic acid; carbamimidothioic acid (3,4-dihydroxyphenyl) ester IUPAC Name: acetic acid; (3,4-dihydroxyphenyl) carbamimidothioate Traditional Name: acetic acid; 2-(3,4-dihydroxyphenyl)isothiourea Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=C(C=C1SC(=N)N)O)O

Isomeric SMILES

CC(=O)O.C1=CC(=C(C=C1SC(=N)N)O)O

InChI

InChI=1S/C7H8N2O2S.C2H4O2/c8-7(9)12-4-1-2-5(10)6(11)3-4;1-2(3)4/h1-3,10-11H,(H3,8,9);1H3,(H,3,4)