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

Systemtic Name: trisodium 6-azanyl-5-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: trisodium 6-amino-5-[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonate CAS Name: trisodium 6-amino-5-[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-1-naphthalenesulfonate IUPAC Name: trisodium 6-amino-5-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: trisodium 6-amino-5-[4-(2-sulfatoethylsulfonyl)-2-sulfonato-phenyl]azo-naphthalene-1-sulfonate Formula: C18H14N3Na3O12S4 MolecularWeight: 661.54597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O12S4.3Na/c19-14-6-5-12-13(2-1-3-16(12)35(24,25)26)18(14)21-20-15-7-4-11(10-17(15)36(27,28)29)34(22,23)9-8-33-37(30,31)32;;;/h1-7,10H,8-9,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3