disodium 1-azanyl-8-[[4-[(4-nitro-2-sulfonato-phenyl)amino]phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium 1-azanyl-8-[[4-[(4-nitro-2-sulfonato-phenyl)amino]phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: disodium 1-amino-8-[4-(4-nitro-2-sulfonato-anilino)phenyl]azo-naphthalene-2-sulfonate CAS Name: disodium 1-amino-8-[4-(4-nitro-2-sulfonatoanilino)phenyl]azo-2-naphthalenesulfonate IUPAC Name: disodium 1-amino-8-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 1-amino-8-[4-(4-nitro-2-sulfonato-anilino)phenyl]azo-naphthalene-2-sulfonate Formula: C22H15N5Na2O8S2 MolecularWeight: 587.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C(=C(C=C2)S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C(=C(C=C2)S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C22H17N5O8S2.2Na/c23-22-19(36(30,31)32)11-4-13-2-1-3-18(21(13)22)26-25-15-7-5-14(6-8-15)24-17-10-9-16(27(28)29)12-20(17)37(33,34)35;;/h1-12,24H,23H2,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2