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

Systemtic Name: trisodium 4-oxidanyl-5-[(4-phenylazanyl-5-sulfonato-naphthalen-1-yl)diazenyl]naphthalene-1,7-disulfonate Openeye Name: trisodium 5-[(4-anilino-5-sulfonato-1-naphthyl)azo]-4-hydroxy-naphthalene-1,7-disulfonate CAS Name: trisodium 5-[(4-anilino-5-sulfonato-1-naphthalenyl)azo]-4-hydroxynaphthalene-1,7-disulfonate IUPAC Name: trisodium 5-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-4-hydroxynaphthalene-1,7-disulfonate Traditional Name: trisodium 5-[(4-anilino-5-sulfonato-1-naphthyl)azo]-4-hydroxy-naphthalene-1,7-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=CC(=CC5=C(C=CC(=C45)O)S(=O)(=O)[O-])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=CC(=CC5=C(C=CC(=C45)O)S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H19N3O10S3.3Na/c30-22-11-12-23(41(34,35)36)18-13-16(40(31,32)33)14-21(25(18)22)29-28-19-9-10-20(27-15-5-2-1-3-6-15)26-17(19)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