disodium 5-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]-8-azanyl-naphthalene-2-sulfonate

Systemtic Name: disodium 5-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]-8-azanyl-naphthalene-2-sulfonate Openeye Name: disodium 5-[[4-(4-acetamidophenyl)azo-6-sulfonato-1-naphthyl]azo]-8-amino-naphthalene-2-sulfonate CAS Name: disodium 5-[[4-(4-acetamidophenyl)azo-6-sulfonato-1-naphthalenyl]azo]-8-amino-2-naphthalenesulfonate IUPAC Name: disodium 5-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-8-aminonaphthalene-2-sulfonate Traditional Name: disodium 5-[[4-(4-acetamidophenyl)azo-6-sulfonato-1-naphthyl]azo]-8-amino-naphthalene-2-sulfonate Formula: C28H20N6Na2O7S2 MolecularWeight: 662.60394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=CC(=CC5=C(C=C4)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=CC(=CC5=C(C=C4)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-27(22-9-7-20(15-24(22)28)43(39,40)41)34-33-26-11-10-25(29)23-14-19(42(36,37)38)6-8-21(23)26;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2