disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-2-methyl-5-propoxyphenyl]-5-methyl-2-propoxyphenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-2-methyl-5-propoxyphenyl]-5-methyl-2-propoxyphenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]azo-naphthalene-1-sulfonate Formula: C40H38N6Na2O8S2 MolecularWeight: 840.87466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)C2=CC(=C(C=C2C)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)OCCC)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)C2=CC(=C(C=C2C)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)OCCC)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C40H40N6O8S2.2Na/c1-5-15-53-35-19-29(23(3)17-31(35)43-45-33-21-37(55(47,48)49)25-11-7-9-13-27(25)39(33)41)30-20-36(54-16-6-2)32(18-24(30)4)44-46-34-22-38(56(50,51)52)26-12-8-10-14-28(26)40(34)42;;/h7-14,17-22H,5-6,15-16,41-42H2,1-4H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2