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

Systemtic Name: disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-3-methoxyphenyl]-2-methoxyphenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-1-sulfonate Formula: C34H26N6Na2O8S2 MolecularWeight: 756.71518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C34H28N6O8S2.2Na/c1-47-29-15-19(11-13-25(29)37-39-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)35)20-12-14-26(30(16-20)48-2)38-40-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2