pentasodium (3Z)-5-[[4-chloranyl-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: pentasodium (3Z)-5-[[4-chloranyl-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: pentasodium (3Z)-5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: pentasodium (3Z)-5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: pentasodium (3Z)-5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: pentasodium (3Z)-5-[[4-chloro-6-[3-(2-sulfatoethylsulfonyl)anilino]-s-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C31H19ClN7Na5O19S6 MolecularWeight: 1136.30991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])C4=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N\NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])/C4=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-3-1-4-17(13-16)59(41,42)10-9-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)11-15-12-24(62(49,50)51)26(27(40)25(15)22)39-38-21-8-7-19-20(28(21)63(52,53)54)5-2-6-23(19)61(46,47)48;;;;;/h1-8,11-14,38H,9-10H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5/b39-26+;;;;;