4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-2-methyl-5-propoxyphenyl]-5-methyl-2-propoxyphenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-methyl-5-propoxyphenyl]-5-methyl-2-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-2-methyl-5-propoxy-phenyl]-5-methyl-2-propoxy-phenyl]azo-naphthalene-1-sulfonic acid Formula: C40H40N6O8S2 MolecularWeight: 796.911

Click to see the large picture

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

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

InChI

InChI=1S/C40H40N6O8S2/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)