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

Systemtic Name: trisodium 4-oxidanyl-4-[(4-phenylazanyl-5-sulfonato-naphthalen-1-yl)diazenyl]-1H-naphthalene-2,7-disulfonate Openeye Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthyl)azo]-4-hydroxy-1H-naphthalene-2,7-disulfonate CAS Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthalenyl)azo]-4-hydroxy-1H-naphthalene-2,7-disulfonate IUPAC Name: trisodium 4-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-4-hydroxy-1H-naphthalene-2,7-disulfonate Traditional Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthyl)azo]-4-hydroxy-1H-naphthalene-2,7-disulfonate Formula: C26H18N3Na3O10S3 MolecularWeight: 697.59953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)S(=O)(=O)[O-])C(C=C1S(=O)(=O)[O-])(N=NC3=C4C=CC=C(C4=C(C=C3)NC5=CC=CC=C5)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1C2=C(C=CC(=C2)S(=O)(=O)[O-])C(C=C1S(=O)(=O)[O-])(N=NC3=C4C=CC=C(C4=C(C=C3)NC5=CC=CC=C5)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H21N3O10S3.3Na/c30-26(15-19(41(34,35)36)14-16-13-18(40(31,32)33)9-10-21(16)26)29-28-22-11-12-23(27-17-5-2-1-3-6-17)25-20(22)7-4-8-24(25)42(37,38)39;;;/h1-13,15,27,30H,14H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3