(3Z)-3-[(4-nitro-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-3-[(4-nitro-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid Openeye Name: (3Z)-3-[(4-nitro-2-sulfo-phenyl)hydrazono]-4-oxo-7-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid CAS Name: (3Z)-3-[(4-nitro-2-sulfophenyl)hydrazinylidene]-4-oxo-7-(2-sulfooxyethylsulfonyl)-2-naphthalenesulfonic acid IUPAC Name: (3Z)-3-[(4-nitro-2-sulfophenyl)hydrazinylidene]-4-oxo-7-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid Traditional Name: (3Z)-4-keto-3-[(4-nitro-2-sulfo-phenyl)hydrazono]-7-(2-sulfoxyethylsulfonyl)naphthalene-2-sulfonic acid Formula: C18H15N3O15S4 MolecularWeight: 641.5828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O15S4/c22-18-13-3-2-12(37(25,26)6-5-36-40(33,34)35)7-10(13)8-16(39(30,31)32)17(18)20-19-14-4-1-11(21(23)24)9-15(14)38(27,28)29/h1-4,7-9,19H,5-6H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)/b20-17+