(3E)-6-azanyl-3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2-propoxy-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-6-azanyl-3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2-propoxy-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-6-amino-3-[[4-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-2-propoxy-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-6-amino-3-[[4-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-2-propoxyphenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-amino-3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2-propoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-6-amino-3-[[4-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-2-propoxy-phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C29H32N6O7S MolecularWeight: 608.66538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N(CCO)CCO)NN=C3C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N(CCO)CCO)N/N=C\3/C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)O

InChI

InChI=1S/C29H32N6O7S/c1-2-15-42-26-18-22(32-31-21-5-8-23(9-6-21)35(11-13-36)12-14-37)7-10-25(26)33-34-28-27(43(39,40)41)16-19-3-4-20(30)17-24(19)29(28)38/h3-10,16-18,33,36-37H,2,11-15,30H2,1H3,(H,39,40,41)/b32-31?,34-28-