bis[[3,5,5-tris(octadecanoyloxymethyl)-4-oxidanyl-oxan-3-yl]methyl] (Z)-but-2-enedioate

Systemtic Name: bis[[3,5,5-tris(octadecanoyloxymethyl)-4-oxidanyl-oxan-3-yl]methyl] (Z)-but-2-enedioate Openeye Name: bis[[4-hydroxy-3,5,5-tris(octadecanoyloxymethyl)tetrahydropyran-3-yl]methyl] (Z)-but-2-enedioate CAS Name: (Z)-2-butenedioic acid bis[[4-hydroxy-3,5,5-tris(1-oxooctadecoxymethyl)-3-oxanyl]methyl] ester IUPAC Name: bis[[4-hydroxy-3,5,5-tris(octadecanoyloxymethyl)oxan-3-yl]methyl] (Z)-but-2-enedioate Traditional Name: (Z)-but-2-enedioic acid bis[[4-hydroxy-3,5,5-tris(stearoyloxymethyl)tetrahydropyran-3-yl]methyl] ester Formula: C130H240O20 MolecularWeight: 2123.2846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)C=CC(=O)OCC2(COCC(C2O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)/C=C\C(=O)OCC2(COCC(C2O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C130H240O20/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-117(131)143-109-127(110-144-118(132)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)105-141-107-129(125(127)139,113-147-121(135)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)115-149-123(137)103-104-124(138)150-116-130(114-148-122(136)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)108-142-106-128(126(130)140,111-145-119(133)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)112-146-120(134)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h103-104,125-126,139-140H,7-102,105-116H2,1-6H3/b104-103-