trisodium (6Z)-4-azanyl-3-[[4-[[4-[[2-azanyl-4-(2-diethylaminoethylamino)phenyl]diazenyl]phenyl]amino]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: trisodium (6Z)-4-azanyl-3-[[4-[[4-[[2-azanyl-4-(2-diethylaminoethylamino)phenyl]diazenyl]phenyl]amino]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: trisodium (6Z)-4-amino-3-[4-[4-[2-amino-4-(2-diethylaminoethylamino)phenyl]azoanilino]-3-sulfonato-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: trisodium (6Z)-4-amino-3-[4-[4-[2-amino-4-(2-diethylaminoethylamino)phenyl]azoanilino]-3-sulfonatophenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: trisodium (6Z)-4-amino-3-[[4-[4-[[2-amino-4-(2-diethylaminoethylamino)phenyl]diazenyl]anilino]-3-sulfonatophenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: trisodium (6Z)-4-amino-3-[4-[4-[2-amino-4-(2-diethylaminoethylamino)phenyl]azoanilino]-3-sulfonato-phenyl]azo-5-keto-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C40H38N11Na3O10S3 MolecularWeight: 997.96173

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)N=NC4=C(C=C5C=C(C(=NNC6=CC=CC=C6)C(=O)C5=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]

Isomeric SMILES

CCN(CC)CCNC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)N=NC4=C(C=C5C=C(/C(=N\NC6=CC=CC=C6)/C(=O)C5=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C40H41N11O10S3.3Na/c1-3-51(4-2)19-18-43-28-14-16-31(30(41)22-28)48-45-27-12-10-25(11-13-27)44-32-17-15-29(23-33(32)62(53,54)55)47-49-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)42)50-46-26-8-6-5-7-9-26;;;/h5-17,20-23,43-44,46H,3-4,18-19,41-42H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b48-45?,49-47?,50-39+;;;