disodium 8-[(4-methylphenyl)amino]-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 8-[(4-methylphenyl)amino]-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 8-(4-methylanilino)-5-[[4-(3-sulfonatophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonate CAS Name: disodium 8-(4-methylanilino)-5-[[4-(3-sulfonatophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonate IUPAC Name: disodium 8-(4-methylanilino)-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 8-(p-toluidino)-5-[[4-(3-sulfonatophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonate Formula: C33H23N5Na2O6S2 MolecularWeight: 695.67516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2