16-methylheptadecyl (Z)-docos-13-enoate

Systemtic Name: 16-methylheptadecyl (Z)-docos-13-enoate Openeye Name: 16-methylheptadecyl (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid 16-methylheptadecyl ester Formula: C40H78O2 MolecularWeight: 591.04612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(41)42-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39(2)3/h11-12,39H,4-10,13-38H2,1-3H3/b12-11-