[2-[[3-[(3-butanoyloxy-1-benzothiophen-2-yl)diazenyl]phenyl]methyl]phenyl] butanoate

Systemtic Name: [2-[[3-[(3-butanoyloxy-1-benzothiophen-2-yl)diazenyl]phenyl]methyl]phenyl] butanoate Openeye Name: [2-[[3-(3-butanoyloxybenzothiophen-2-yl)azophenyl]methyl]phenyl] butanoate CAS Name: butanoic acid [2-[[3-[[3-(1-oxobutoxy)-1-benzothiophen-2-yl]azo]phenyl]methyl]phenyl] ester IUPAC Name: [2-[[3-[(3-butanoyloxy-1-benzothiophen-2-yl)diazenyl]phenyl]methyl]phenyl] butanoate Traditional Name: butyric acid [2-[3-(3-butyryloxybenzothiophen-2-yl)azobenzyl]phenyl] ester Formula: C29H28N2O4S MolecularWeight: 500.60862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC=C1CC2=CC(=CC=C2)N=NC3=C(C4=CC=CC=C4S3)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=CC=CC=C1CC2=CC(=CC=C2)N=NC3=C(C4=CC=CC=C4S3)OC(=O)CCC

InChI

InChI=1S/C29H28N2O4S/c1-3-10-26(32)34-24-16-7-5-13-21(24)18-20-12-9-14-22(19-20)30-31-29-28(35-27(33)11-4-2)23-15-6-8-17-25(23)36-29/h5-9,12-17,19H,3-4,10-11,18H2,1-2H3