disodium 4-azanyl-3-[[4-[4-[(2-azanyl-6-sulfonato-naphthalen-1-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-azanyl-3-[[4-[4-[(2-azanyl-6-sulfonato-naphthalen-1-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[4-[4-[(2-amino-6-sulfonato-1-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[4-[4-[(2-amino-6-sulfonato-1-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[4-[4-[(2-amino-6-sulfonatonaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[4-[4-[(2-amino-6-sulfonato-1-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonate Formula: C34H26N6Na2O6S2 MolecularWeight: 724.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C34H28N6O6S2.2Na/c1-19-15-21(8-13-29(19)37-39-31-18-32(48(44,45)46)26-5-3-4-6-27(26)33(31)36)22-9-14-30(20(2)16-22)38-40-34-25-11-10-24(47(41,42)43)17-23(25)7-12-28(34)35;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2