butanedioic acid; (1-hexadecanoyloxy-3-oxidanyl-propan-2-yl) (Z)-octadec-9-enoate

Systemtic Name: butanedioic acid; (1-hexadecanoyloxy-3-oxidanyl-propan-2-yl) (Z)-octadec-9-enoate Openeye Name: [1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] (Z)-octadec-9-enoate; succinic acid CAS Name: butanedioic acid; (Z)-9-octadecenoic acid [1-hydroxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: butanedioic acid; (1-hexadecanoyloxy-3-hydroxypropan-2-yl) (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] ester; succinic acid Formula: C78H146O14 MolecularWeight: 1307.98544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC.CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)CO.CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)CO.C(C(=O)O)CC(=O)O

InChI

InChI=1S/2C37H70O5.C4H6O4/c2*1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;5-3(6)1-2-4(7)8/h2*17-18,35,38H,3-16,19-34H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/b2*18-17-;