disodium 8-azanyl-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium 8-azanyl-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: disodium 8-amino-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2-sulfonate CAS Name: disodium 8-amino-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-2-naphthalenesulfonate IUPAC Name: disodium 8-amino-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 8-amino-5-[4-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-2-sulfonate Formula: C18H15N3Na2O9S3 MolecularWeight: 559.50094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H17N3O9S3.2Na/c19-17-7-8-18(15-6-5-14(11-16(15)17)32(24,25)26)21-20-12-1-3-13(4-2-12)31(22,23)10-9-30-33(27,28)29;;/h1-8,11H,9-10,19H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2