trisodium 3-[[4-[(4-azanyl-6-sulfonato-naphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: trisodium 3-[[4-[(4-azanyl-6-sulfonato-naphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: trisodium 3-[[4-[(4-amino-6-sulfonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1,5-disulfonate CAS Name: trisodium 3-[[4-[(4-amino-6-sulfonato-1-naphthalenyl)azo]-1-naphthalenyl]azo]naphthalene-1,5-disulfonate IUPAC Name: trisodium 3-[[4-[(4-amino-6-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: trisodium 3-[[4-[(4-amino-6-sulfonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1,5-disulfonate Formula: C30H18N5Na3O9S3 MolecularWeight: 757.65633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C6C=CC(=CC6=C(C=C5)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C6C=CC(=CC6=C(C=C5)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H21N5O9S3.3Na/c31-25-10-11-26(21-9-8-18(16-23(21)25)45(36,37)38)34-35-28-13-12-27(19-4-1-2-5-20(19)28)33-32-17-14-24-22(30(15-17)47(42,43)44)6-3-7-29(24)46(39,40)41;;;/h1-16H,31H2,(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3