4,5-bis(oxidanylidene)-3,6-bis[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: 4,5-bis(oxidanylidene)-3,6-bis[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: 4,5-dioxo-3,6-bis[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: 4,5-dioxo-3,6-bis[(4-sulfonato-1-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: 4,5-dioxo-3,6-bis[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: 4,5-diketo-3,6-bis[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2,7-disulfonate Formula: C30H16N4O14S4-4 MolecularWeight: 784.72644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C(=O)C(=NNC5=CC=C(C6=CC=CC=C65)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C(=O)C(=NNC5=CC=C(C6=CC=CC=C65)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C30H20N4O14S4/c35-29-26-15(13-24(51(43,44)45)27(29)33-31-20-9-11-22(49(37,38)39)18-7-3-1-5-16(18)20)14-25(52(46,47)48)28(30(26)36)34-32-21-10-12-23(50(40,41)42)19-8-4-2-6-17(19)21/h1-14,31-32H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/p-4