3,6-bis[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate

Systemtic Name: 3,6-bis[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate Openeye Name: 3,6-bis[(4-methyl-2-sulfo-phenyl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonate CAS Name: 3,6-bis[(4-methyl-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate IUPAC Name: 3,6-bis[(4-methyl-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate Traditional Name: 4,5-diketo-3,6-bis[(4-methyl-2-sulfo-phenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C24H18N4O14S4-2 MolecularWeight: 714.67812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C24H20N4O14S4/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36/h3-10,25-26H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-2