2-[[2-[4-butyl-2-[(Z)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]thiophen-3-yl]-5-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[2-[4-butyl-2-[(Z)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]thiophen-3-yl]-5-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 2-[[2-[4-butyl-2-[(Z)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxo-prop-1-enyl]-3-thienyl]-5-methoxy-phenoxy]methyl]benzoic acid CAS Name: 2-[[2-[4-butyl-2-[(Z)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]-3-thiophenyl]-5-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 2-[[2-[4-butyl-2-[(Z)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]thiophen-3-yl]-5-methoxyphenoxy]methyl]benzoic acid Traditional Name: 2-[[2-[4-butyl-2-[(Z)-3-hydroxy-3-keto-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-1-enyl]-3-thienyl]-5-methoxy-phenoxy]methyl]benzoic acid Formula: C35H34O9S MolecularWeight: 630.70406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CSC(=C1C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O)C=C(CC4=CC5=C(C=C4OC)OCO5)C(=O)O

Isomeric SMILES

CCCCC1=CSC(=C1C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O)/C=C(/CC4=CC5=C(C=C4OC)OCO5)\C(=O)O

InChI

InChI=1S/C35H34O9S/c1-4-5-8-22-19-45-32(15-24(34(36)37)13-23-14-30-31(44-20-43-30)17-28(23)41-3)33(22)27-12-11-25(40-2)16-29(27)42-18-21-9-6-7-10-26(21)35(38)39/h6-7,9-12,14-17,19H,4-5,8,13,18,20H2,1-3H3,(H,36,37)(H,38,39)/b24-15-