disodium 3-[[4-[(4-azanylnaphthalen-1-yl)diazenyl]-2,5-dimethyl-phenyl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-[[4-[(4-azanylnaphthalen-1-yl)diazenyl]-2,5-dimethyl-phenyl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-[4-[(4-amino-1-naphthyl)azo]-2,5-dimethyl-phenyl]azonaphthalene-1,5-disulfonate CAS Name: disodium 3-[4-[(4-amino-1-naphthalenyl)azo]-2,5-dimethylphenyl]azonaphthalene-1,5-disulfonate IUPAC Name: disodium 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-[4-[(4-amino-1-naphthyl)azo]-2,5-dimethyl-phenyl]azonaphthalene-1,5-disulfonate Formula: C28H21N5Na2O6S2 MolecularWeight: 633.60578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC4=CC=C(C5=CC=CC=C54)N.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC4=CC=C(C5=CC=CC=C54)N.[Na+].[Na+]

InChI

InChI=1S/C28H23N5O6S2.2Na/c1-16-13-26(33-31-24-11-10-23(29)19-6-3-4-7-20(19)24)17(2)12-25(16)32-30-18-14-22-21(28(15-18)41(37,38)39)8-5-9-27(22)40(34,35)36;;/h3-15H,29H2,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2