trisodium 4-oxidanyl-5-[(4-phenylazanyl-5-sulfonato-naphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: trisodium 4-oxidanyl-5-[(4-phenylazanyl-5-sulfonato-naphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate Openeye Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: trisodium 4-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonate Formula: C26H16N3Na3O10S3 MolecularWeight: 695.58365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3