3,5-dinitro-2-[(2E)-2-[2-oxidanylidene-6-(2-sulfooxyethylsulfonyl)naphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 3,5-dinitro-2-[(2E)-2-[2-oxidanylidene-6-(2-sulfooxyethylsulfonyl)naphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 3,5-dinitro-2-[(2E)-2-[2-oxo-6-(2-sulfooxyethylsulfonyl)-1-naphthylidene]hydrazino]benzenesulfonic acid CAS Name: 3,5-dinitro-2-[(2E)-2-[2-oxo-6-(2-sulfooxyethylsulfonyl)-1-naphthalenylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 3,5-dinitro-2-[(2E)-2-[2-oxo-6-(2-sulfooxyethylsulfonyl)naphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-[(N'E)-N'-[2-keto-6-(2-sulfoxyethylsulfonyl)-1-naphthylidene]hydrazino]-3,5-dinitro-besylic acid Formula: C18H14N4O14S3 MolecularWeight: 606.51716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)C2=NNC3=C(C=C(C=C3S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])C=C1S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC\2=C(C=CC(=O)/C2=N/NC3=C(C=C(C=C3S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])C=C1S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C18H14N4O14S3/c23-15-4-1-10-7-12(37(28,29)6-5-36-39(33,34)35)2-3-13(10)17(15)19-20-18-14(22(26)27)8-11(21(24)25)9-16(18)38(30,31)32/h1-4,7-9,20H,5-6H2,(H,30,31,32)(H,33,34,35)/b19-17+