[4-[(2E)-2-(3-isothiocyanato-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]arsonic acid

Systemtic Name: [4-[(2E)-2-(3-isothiocyanato-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]arsonic acid Openeye Name: [4-[(2E)-2-(3-isothiocyanato-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]arsonic acid CAS Name: [4-[(2E)-2-(3-isothiocyanato-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]arsonic acid IUPAC Name: [4-[(2E)-2-(3-isothiocyanato-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]arsonic acid Traditional Name: [4-[(N'E)-N'-(3-isothiocyanato-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]arsonic acid Formula: C13H10AsN3O4S MolecularWeight: 379.2228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=C(C=CC2=O)N=C=S)[As](=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=C(C=CC2=O)N=C=S)[As](=O)(O)O

InChI

InChI=1S/C13H10AsN3O4S/c18-13-6-5-11(15-8-22)7-12(13)17-16-10-3-1-9(2-4-10)14(19,20)21/h1-7,16H,(H2,19,20,21)/b17-12+