2-methyl-5-[[4-[(2Z)-2-(1-oxidanylidene-6-phenylazanyl-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-6-sulfo-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-methyl-5-[[4-[(2Z)-2-(1-oxidanylidene-6-phenylazanyl-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-6-sulfo-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid Openeye Name: 2-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]-6-sulfo-1-naphthyl]azo]-5-methyl-benzene-1,4-disulfonic acid CAS Name: 2-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]-6-sulfo-1-naphthalenyl]azo]-5-methylbenzene-1,4-disulfonic acid IUPAC Name: 2-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-methylbenzene-1,4-disulfonic acid Traditional Name: 2-[[4-[(N'Z)-N'-(6-anilino-1-keto-3-sulfo-2-naphthylidene)hydrazino]-6-sulfo-1-naphthyl]azo]-5-methyl-benzene-1,4-disulfonic acid Formula: C33H25N5O13S4 MolecularWeight: 827.8373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)N=NC2=C3C=CC(=CC3=C(C=C2)NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C/4\C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C33H25N5O13S4/c1-18-13-30(54(46,47)48)28(17-29(18)53(43,44)45)37-35-26-11-12-27(25-16-22(52(40,41)42)8-10-24(25)26)36-38-32-31(55(49,50)51)15-19-14-21(7-9-23(19)33(32)39)34-20-5-3-2-4-6-20/h2-17,34,36H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/b37-35?,38-32+