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

Systemtic Name: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-propyl-phenyl]-2-propyl-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-propyl-phenyl]-2-propyl-phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-3-propylphenyl]-2-propylphenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-propylphenyl]-2-propylphenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-propyl-phenyl]-2-propyl-phenyl]azo-naphthalene-1-sulfonic acid Formula: C38H36N6O6S2 MolecularWeight: 736.85904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)CCC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)CCC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

InChI

InChI=1S/C38H36N6O6S2/c1-3-9-25-19-23(15-17-31(25)41-43-33-21-35(51(45,46)47)27-11-5-7-13-29(27)37(33)39)24-16-18-32(26(20-24)10-4-2)42-44-34-22-36(52(48,49)50)28-12-6-8-14-30(28)38(34)40/h5-8,11-22H,3-4,9-10,39-40H2,1-2H3,(H,45,46,47)(H,48,49,50)