3-butyl-6-[(E)-10-[3-[(E)-10-(4-butyl-5,6-dicarboxy-cyclohex-2-en-1-yl)dec-9-enoyl]oxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy-propoxy]-10-oxidanylidene-dec-1-enyl]cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 3-butyl-6-[(E)-10-[3-[(E)-10-(4-butyl-5,6-dicarboxy-cyclohex-2-en-1-yl)dec-9-enoyl]oxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy-propoxy]-10-oxidanylidene-dec-1-enyl]cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 3-butyl-6-[(E)-10-[3-[(E)-10-(4-butyl-5,6-dicarboxy-cyclohex-2-en-1-yl)dec-9-enoyl]oxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy-propoxy]-10-oxo-dec-1-enyl]cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 3-butyl-6-[(E)-10-[3-[(E)-10-(4-butyl-5,6-dicarboxy-1-cyclohex-2-enyl)-1-oxodec-9-enoxy]-2-[(9E,11E,13E)-1-oxooctadeca-9,11,13-trienoxy]propoxy]-10-oxodec-1-enyl]cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 3-butyl-6-[(E)-10-[3-[(E)-10-(4-butyl-5,6-dicarboxycyclohex-2-en-1-yl)dec-9-enoyl]oxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxypropoxy]-10-oxodec-1-enyl]cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 3-butyl-6-[(E)-10-[3-[(E)-10-(4-butyl-5,6-dicarboxy-cyclohex-2-en-1-yl)dec-9-enoyl]oxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy-propoxy]-10-keto-dec-1-enyl]cyclohex-4-ene-1,2-dicarboxylic acid Formula: C65H100O14 MolecularWeight: 1105.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CC1C=CC(C(C1C(=O)O)C(=O)O)CCCC)COC(=O)CCCCCCCC=CC2C=CC(C(C2C(=O)O)C(=O)O)CCCC

Isomeric SMILES

CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C/C1C(C(C(C=C1)CCCC)C(=O)O)C(=O)O)COC(=O)CCCCCCC/C=C/C2C(C(C(C=C2)CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C65H100O14/c1-4-7-10-11-12-13-14-15-16-17-18-19-24-31-36-43-57(68)79-54(48-77-55(66)41-34-29-25-20-22-27-32-39-52-46-44-50(37-8-5-2)58(62(69)70)60(52)64(73)74)49-78-56(67)42-35-30-26-21-23-28-33-40-53-47-45-51(38-9-6-3)59(63(71)72)61(53)65(75)76/h11-16,32-33,39-40,44-47,50-54,58-61H,4-10,17-31,34-38,41-43,48-49H2,1-3H3,(H,69,70)(H,71,72)(H,73,74)(H,75,76)/b12-11+,14-13+,16-15+,39-32+,40-33+