disodium 6-azanyl-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 6-azanyl-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 6-amino-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 6-amino-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 6-amino-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 6-amino-5-[4-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-1-sulfonate Formula: C18H15N3Na2O9S3 MolecularWeight: 559.50094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])N)C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])N)C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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