sodium (3Z)-3-[(Z)-[5-[[4-[[4-[2-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: sodium (3Z)-3-[(Z)-[5-[[4-[[4-[2-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3Z)-3-[(Z)-[2-hydroxy-5-[4-[[4-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)hydrazino]phenyl]carbamoyl]phenyl]azo-4-oxo-cyclohexa-2,5-dien-1-ylidene]hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3Z)-3-[(Z)-[2-hydroxy-5-[4-[[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)hydrazo]anilino]-oxomethyl]phenyl]azo-4-oxo-1-cyclohexa-2,5-dienylidene]hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3Z)-3-[(Z)-[2-hydroxy-5-[[4-[[4-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3Z)-3-[(Z)-[2-hydroxy-4-keto-5-[4-[[4-[N'-(3-keto-5-methyl-2-pyrazolin-4-yl)hydrazino]phenyl]carbamoyl]phenyl]azo-cyclohexa-2,5-dien-1-ylidene]hydrazono]-4-keto-cyclohexa-1,5-diene-1-sulfonate Formula: C29H22N9NaO8S MolecularWeight: 679.59525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1NNC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=NC4=CC(=NN=C5C=C(C=CC5=O)S(=O)(=O)[O-])C(=CC4=O)O.[Na+]

Isomeric SMILES

CC1=NNC(=O)C1NNC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=NC4=C/C(=N/N=C\5/C=C(C=CC5=O)S(=O)(=O)[O-])/C(=CC4=O)O.[Na+]

InChI

InChI=1S/C29H23N9O8S.Na/c1-15-27(29(43)38-31-15)37-33-19-8-6-17(7-9-19)30-28(42)16-2-4-18(5-3-16)32-34-22-13-23(26(41)14-25(22)40)36-35-21-12-20(47(44,45)46)10-11-24(21)39;/h2-14,27,33,37,41H,1H3,(H,30,42)(H,38,43)(H,44,45,46);/q;+1/p-1/b34-32?,35-21-,36-23-;