trisodium 2-[[4-[(4-azanylnaphthalen-1-yl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate

Systemtic Name: trisodium 2-[[4-[(4-azanylnaphthalen-1-yl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Openeye Name: trisodium 2-[[4-[(4-amino-1-naphthyl)azo]-6-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate CAS Name: trisodium 2-[[4-[(4-amino-1-naphthalenyl)azo]-6-sulfonato-1-naphthalenyl]azo]benzene-1,4-disulfonate IUPAC Name: trisodium 2-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Traditional Name: trisodium 2-[[4-[(4-amino-1-naphthyl)azo]-6-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate Formula: C26H16N5Na3O9S3 MolecularWeight: 707.59765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H19N5O9S3.3Na/c27-21-8-9-22(18-4-2-1-3-17(18)21)28-30-24-11-10-23(19-7-5-15(13-20(19)24)41(32,33)34)29-31-25-14-16(42(35,36)37)6-12-26(25)43(38,39)40;;;/h1-14H,27H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3