[2-[1,2-bis(oxidanyl)ethyl]-4-octadecoxy-5-oxidanylidene-2H-furan-3-yl] benzoate

Systemtic Name: [2-[1,2-bis(oxidanyl)ethyl]-4-octadecoxy-5-oxidanylidene-2H-furan-3-yl] benzoate Openeye Name: [2-(1,2-dihydroxyethyl)-4-octadecoxy-5-oxo-2H-furan-3-yl] benzoate CAS Name: benzoic acid [2-(1,2-dihydroxyethyl)-4-octadecoxy-5-oxo-2H-furan-3-yl] ester IUPAC Name: [2-(1,2-dihydroxyethyl)-4-octadecoxy-5-oxo-2H-furan-3-yl] benzoate Traditional Name: benzoic acid [2-(1,2-dihydroxyethyl)-5-keto-4-stearyloxy-2H-furan-3-yl] ester Formula: C31H48O7 MolecularWeight: 532.70862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C(OC1=O)C(CO)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C(OC1=O)C(CO)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-29-28(27(26(33)24-32)37-31(29)35)38-30(34)25-21-18-17-19-22-25/h17-19,21-22,26-27,32-33H,2-16,20,23-24H2,1H3