[3-oxidanyl-6-oxidanylidene-5-(3-oxidanyl-2-oxidanylidene-chromen-4-yl)cyclohexa-2,4-dien-1-yl] carbamimidothioate

Systemtic Name: [3-oxidanyl-6-oxidanylidene-5-(3-oxidanyl-2-oxidanylidene-chromen-4-yl)cyclohexa-2,4-dien-1-yl] carbamimidothioate Openeye Name: 2-[3-hydroxy-5-(3-hydroxy-2-oxo-chromen-4-yl)-6-oxo-cyclohexa-2,4-dien-1-yl]isothiourea CAS Name: carbamimidothioic acid [3-hydroxy-5-(3-hydroxy-2-oxo-1-benzopyran-4-yl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [3-hydroxy-5-(3-hydroxy-2-oxochromen-4-yl)-6-oxocyclohexa-2,4-dien-1-yl] carbamimidothioate Traditional Name: 2-[3-hydroxy-5-(3-hydroxy-2-keto-chromen-4-yl)-6-keto-cyclohexa-2,4-dien-1-yl]isothiourea Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)O)C3=CC(=CC(C3=O)SC(=N)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)O)C3=CC(=CC(C3=O)SC(=N)N)O

InChI

InChI=1S/C16H12N2O5S/c17-16(18)24-11-6-7(19)5-9(13(11)20)12-8-3-1-2-4-10(8)23-15(22)14(12)21/h1-6,11,19,21H,(H3,17,18)