2,3-bis(oxidanyl)propyl (E)-12-oxidanyl-2,2,3-tris(phenylcarbonyl)octadec-9-enoate

Systemtic Name: 2,3-bis(oxidanyl)propyl (E)-12-oxidanyl-2,2,3-tris(phenylcarbonyl)octadec-9-enoate Openeye Name: 2,3-dihydroxypropyl (E)-2,2,3-tribenzoyl-12-hydroxy-octadec-9-enoate CAS Name: (E)-2,2,3-tribenzoyl-12-hydroxy-9-octadecenoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl (E)-2,2,3-tribenzoyl-12-hydroxyoctadec-9-enoate Traditional Name: (E)-2,2,3-tribenzoyl-12-hydroxy-octadec-9-enoic acid glyceryl ester Formula: C42H52O8 MolecularWeight: 684.85748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCC(C(=O)C1=CC=CC=C1)C(C(=O)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)OCC(CO)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCC(C(=O)C1=CC=CC=C1)C(C(=O)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)OCC(CO)O)O

InChI

InChI=1S/C42H52O8/c1-2-3-4-18-27-35(44)28-19-7-5-6-8-20-29-37(38(46)32-21-12-9-13-22-32)42(41(49)50-31-36(45)30-43,39(47)33-23-14-10-15-24-33)40(48)34-25-16-11-17-26-34/h7,9-17,19,21-26,35-37,43-45H,2-6,8,18,20,27-31H2,1H3/b19-7+