3-[2,3-bis(oxidanyl)propoxycarbonyl]-5-[(E)-octadec-9-enoyl]peroxy-5-oxidanylidene-3-propanoyloxy-pentanoic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)propoxycarbonyl]-5-[(E)-octadec-9-enoyl]peroxy-5-oxidanylidene-3-propanoyloxy-pentanoic acid Openeye Name: 3-(2,3-dihydroxypropoxycarbonyl)-5-[(E)-octadec-9-enoyl]peroxy-5-oxo-3-propanoyloxy-pentanoic acid CAS Name: 3-[2,3-dihydroxypropoxy(oxo)methyl]-5-oxo-5-[(E)-1-oxooctadec-9-enyl]dioxy-3-(1-oxopropoxy)pentanoic acid IUPAC Name: 3-(2,3-dihydroxypropoxycarbonyl)-5-[(E)-octadec-9-enoyl]peroxy-5-oxo-3-propanoyloxypentanoic acid Traditional Name: 3-glyceryloxycarbonyl-5-keto-5-[(E)-octadec-9-enoyl]peroxy-3-propionyloxy-valeric acid Formula: C30H50O12 MolecularWeight: 602.7108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OOC(=O)CC(CC(=O)O)(C(=O)OCC(CO)O)OC(=O)CC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OOC(=O)CC(CC(=O)O)(C(=O)OCC(CO)O)OC(=O)CC

InChI

InChI=1S/C30H50O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(36)41-42-28(37)21-30(20-25(33)34,40-26(35)4-2)29(38)39-23-24(32)22-31/h11-12,24,31-32H,3-10,13-23H2,1-2H3,(H,33,34)/b12-11+