disodium 4-[[(3Z,5Z)-4,6-bis(oxidanylidene)-3,5-bis(phenylhydrazinylidene)cyclohexen-1-yl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[[(3Z,5Z)-4,6-bis(oxidanylidene)-3,5-bis(phenylhydrazinylidene)cyclohexen-1-yl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-[(3Z,5Z)-4,6-dioxo-3,5-bis(phenylhydrazono)cyclohexen-1-yl]azo-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-[[(3Z,5Z)-4,6-dioxo-3,5-bis(phenylhydrazinylidene)-1-cyclohexenyl]azo]-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-[[(3Z,5Z)-4,6-dioxo-3,5-bis(phenylhydrazinylidene)cyclohexen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-[(3Z,5Z)-4,6-diketo-3,5-bis(phenylhydrazono)cyclohexen-1-yl]azo-5-hydroxy-naphthalene-2,7-disulfonate Formula: C28H18N6Na2O9S2 MolecularWeight: 692.58686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C=C(C(=O)C(=NNC3=CC=CC=C3)C2=O)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C\2/C=C(C(=O)/C(=N/NC3=CC=CC=C3)/C2=O)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H20N6O9S2.2Na/c35-24-14-20(45(41,42)43)12-16-11-19(44(38,39)40)13-21(25(16)24)31-33-23-15-22(32-29-17-7-3-1-4-8-17)27(36)26(28(23)37)34-30-18-9-5-2-6-10-18;;/h1-15,29-30,35H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b32-22-,33-31?,34-26+;;