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

Systemtic Name: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-propoxy-phenyl]-2-propoxy-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-propoxy-phenyl]-2-propoxy-phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-3-propoxyphenyl]-2-propoxyphenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-propoxyphenyl]-2-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-propoxy-phenyl]-2-propoxy-phenyl]azo-naphthalene-1-sulfonic acid Formula: C38H36N6O8S2 MolecularWeight: 768.85784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)OCCC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)OCCC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

InChI

InChI=1S/C38H36N6O8S2/c1-3-17-51-33-19-23(13-15-29(33)41-43-31-21-35(53(45,46)47)25-9-5-7-11-27(25)37(31)39)24-14-16-30(34(20-24)52-18-4-2)42-44-32-22-36(54(48,49)50)26-10-6-8-12-28(26)38(32)40/h5-16,19-22H,3-4,17-18,39-40H2,1-2H3,(H,45,46,47)(H,48,49,50)