trisodium (6Z)-4-azanyl-3-[[4-[[4-[(2Z)-2-[2-(2-diethylaminoethylamino)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]phenyl]amino]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: trisodium (6Z)-4-azanyl-3-[[4-[[4-[(2Z)-2-[2-(2-diethylaminoethylamino)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]phenyl]amino]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: trisodium (6Z)-4-amino-3-[4-[4-[(2Z)-2-[2-(2-diethylaminoethylamino)-4-oxo-cyclohexa-2,5-dien-1-ylidene]hydrazino]anilino]-3-sulfonato-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: trisodium (6Z)-4-amino-3-[4-[4-[(2Z)-2-[2-(2-diethylaminoethylamino)-4-oxo-1-cyclohexa-2,5-dienylidene]hydrazinyl]anilino]-3-sulfonatophenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: trisodium (6Z)-4-amino-3-[[4-[4-[(2Z)-2-[2-(2-diethylaminoethylamino)-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinyl]anilino]-3-sulfonatophenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: trisodium (6Z)-4-amino-3-[4-[4-[(N'Z)-N'-[2-(2-diethylaminoethylamino)-4-keto-cyclohexa-2,5-dien-1-ylidene]hydrazino]anilino]-3-sulfonato-phenyl]azo-5-keto-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C40H37N10Na3O11S3 MolecularWeight: 998.94649

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC(=O)C=CC1=NNC2=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-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCN(CC)CCNC\1=CC(=O)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-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C40H40N10O11S3.3Na/c1-3-50(4-2)19-18-42-32-23-29(51)15-17-30(32)47-44-27-12-10-25(11-13-27)43-31-16-14-28(22-33(31)62(53,54)55)46-48-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)41)49-45-26-8-6-5-7-9-26;;;/h5-17,20-23,42-45H,3-4,18-19,41H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b47-30-,48-46?,49-39+;;;