3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxy-phenyl]benzoic acid

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxy-phenyl]benzoic acid Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-indan-1-yl]-5-methoxy-phenyl]benzoic acid CAS Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxyphenyl]benzoic acid IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxyphenyl]benzoic acid Traditional Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-indan-1-yl]-5-methoxy-phenyl]benzoic acid Formula: C34H30O9 MolecularWeight: 582.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2)OC(=O)O)(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)C6=CC(=CC=C6)C(=O)O

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2)OC(=O)O)(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)C6=CC(=CC=C6)C(=O)O

InChI

InChI=1S/C34H30O9/c1-3-13-40-25-9-10-27-22(15-25)16-31(43-33(37)38)34(27,23-7-12-29-30(17-23)42-19-41-29)28-11-8-24(39-2)18-26(28)20-5-4-6-21(14-20)32(35)36/h4-12,14-15,17-18,31H,3,13,16,19H2,1-2H3,(H,35,36)(H,37,38)