5-nitro-2-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]benzenesulfonic acid

Systemtic Name: 5-nitro-2-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]benzenesulfonic acid Openeye Name: 5-nitro-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]benzenesulfonic acid CAS Name: 5-nitro-2-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]benzenesulfonic acid IUPAC Name: 5-nitro-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]benzenesulfonic acid Traditional Name: 2-[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]-5-nitro-besylic acid Formula: C18H14N4O6S MolecularWeight: 414.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H14N4O6S/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28/h1-11,19-20H,(H,26,27,28)