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

Systemtic Name: [2-[1,2-bis(oxidanyl)ethyl]-4-hexadecoxy-5-oxidanylidene-2H-furan-3-yl] benzoate Openeye Name: [2-(1,2-dihydroxyethyl)-4-hexadecoxy-5-oxo-2H-furan-3-yl] benzoate CAS Name: benzoic acid [2-(1,2-dihydroxyethyl)-4-hexadecoxy-5-oxo-2H-furan-3-yl] ester IUPAC Name: [2-(1,2-dihydroxyethyl)-4-hexadecoxy-5-oxo-2H-furan-3-yl] benzoate Traditional Name: benzoic acid [4-cetyloxy-2-(1,2-dihydroxyethyl)-5-keto-2H-furan-3-yl] ester Formula: C29H44O7 MolecularWeight: 504.65546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(OC1=O)C(CO)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(OC1=O)C(CO)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-34-27-26(25(24(31)22-30)35-29(27)33)36-28(32)23-19-16-15-17-20-23/h15-17,19-20,24-25,30-31H,2-14,18,21-22H2,1H3