1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethylsulfanyl)-4-methoxy-phenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethylsulfanyl)-4-methoxy-phenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethylsulfanyl)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethylthio)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethylsulfanyl)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethylthio)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C29H28O8S MolecularWeight: 536.59282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)SCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)SCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H28O8S/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-24(20)38-14-25(30)31)28(29(32)33)26(19)16-4-9-22-23(11-16)37-15-36-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)