2-[3,5-bis(methoxycarbonyl)phenoxy]-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[3,5-bis(methoxycarbonyl)phenoxy]-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-[3,5-bis(methoxycarbonyl)phenoxy]-3-(2-octadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 2-[3,5-bis(methoxycarbonyl)phenoxy]-3-(2-octadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2-[3,5-bis(methoxycarbonyl)phenoxy]-3-(2-octadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 2-(3,5-dicarbomethoxyphenoxy)-3-keto-3-(2-stearyloxyphenyl)propionic acid Formula: C37H52O9 MolecularWeight: 640.80338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C37H52O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-45-32-23-20-19-22-31(32)33(38)34(35(39)40)46-30-26-28(36(41)43-2)25-29(27-30)37(42)44-3/h19-20,22-23,25-27,34H,4-18,21,24H2,1-3H3,(H,39,40)