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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])N)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])N)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H17N3O9S3.2Na/c19-17-8-1-12-11-15(32(24,25)26)6-7-16(12)18(17)21-20-13-2-4-14(5-3-13)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