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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-2-(2-methyl-3-oxidanyl-3-oxidanylidene-propoxy)phenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-hydroxy-2-methyl-3-oxo-propoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-hydroxy-2-methyl-3-oxopropoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-hydroxy-2-methyl-3-oxopropoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-hydroxy-3-keto-2-methyl-propoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C31H32O9 MolecularWeight: 548.58038

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H32O9/c1-4-11-37-20-7-8-21-23(13-20)28(22-9-6-19(36-3)14-25(22)38-15-17(2)30(32)33)29(31(34)35)27(21)18-5-10-24-26(12-18)40-16-39-24/h5-10,12-14,17,27-29H,4,11,15-16H2,1-3H3,(H,32,33)(H,34,35)