(6Z)-4-azanyl-6-[(4-methoxyphenyl)hydrazinylidene]-5-oxidanylidene-3-[[4-(3-sulfooxypropanoylamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6Z)-4-azanyl-6-[(4-methoxyphenyl)hydrazinylidene]-5-oxidanylidene-3-[[4-(3-sulfooxypropanoylamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6Z)-4-amino-6-[(4-methoxyphenyl)hydrazono]-5-oxo-3-[4-(3-sulfooxypropanoylamino)phenyl]azo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6Z)-4-amino-6-[(4-methoxyphenyl)hydrazinylidene]-5-oxo-3-[4-[(1-oxo-3-sulfooxypropyl)amino]phenyl]azo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6Z)-4-amino-6-[(4-methoxyphenyl)hydrazinylidene]-5-oxo-3-[[4-(3-sulfooxypropanoylamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6Z)-4-amino-5-keto-6-[(4-methoxyphenyl)hydrazono]-3-[4-(3-sulfoxypropanoylamino)phenyl]azo-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C26H24N6O13S3 MolecularWeight: 724.69616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)NC(=O)CCOS(=O)(=O)O)S(=O)(=O)O)SOOO

Isomeric SMILES

COC1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)NC(=O)CCOS(=O)(=O)O)S(=O)(=O)O)SOOO

InChI

InChI=1S/C26H24N6O13S3/c1-42-18-8-6-17(7-9-18)29-31-24-19(46-45-44-35)12-14-13-20(47(36,37)38)25(23(27)22(14)26(24)34)32-30-16-4-2-15(3-5-16)28-21(33)10-11-43-48(39,40)41/h2-9,12-13,29,35H,10-11,27H2,1H3,(H,28,33)(H,36,37,38)(H,39,40,41)/b31-24+,32-30?