trisodium 4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: trisodium 4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate Openeye Name: trisodium 4-[(4-sulfonato-1-naphthyl)azo]naphthalene-2,7-disulfonate CAS Name: trisodium 4-[(4-sulfonato-1-naphthalenyl)azo]naphthalene-2,7-disulfonate IUPAC Name: trisodium 4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate Traditional Name: trisodium 4-[(4-sulfonato-1-naphthyl)azo]naphthalene-2,7-disulfonate Formula: C20H11N2Na3O9S3 MolecularWeight: 588.47365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H14N2O9S3.3Na/c23-32(24,25)13-5-6-15-12(9-13)10-14(33(26,27)28)11-19(15)22-21-18-7-8-20(34(29,30)31)17-4-2-1-3-16(17)18;;;/h1-11H,(H,23,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3