disodium 3-[(4-azanylnaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-[(4-azanylnaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-[(4-amino-1-naphthyl)azo]naphthalene-1,5-disulfonate CAS Name: disodium 3-[(4-amino-1-naphthalenyl)azo]naphthalene-1,5-disulfonate IUPAC Name: disodium 3-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-[(4-amino-1-naphthyl)azo]naphthalene-1,5-disulfonate Formula: C20H13N3Na2O6S2 MolecularWeight: 501.44326

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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.[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.[Na+].[Na+]

InChI

InChI=1S/C20H15N3O6S2.2Na/c21-17-8-9-18(14-5-2-1-4-13(14)17)23-22-12-10-16-15(20(11-12)31(27,28)29)6-3-7-19(16)30(24,25)26;;/h1-11H,21H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2