phenyl 3-dodecylheptadecanoate

Systemtic Name: phenyl 3-dodecylheptadecanoate Openeye Name: phenyl 3-dodecylheptadecanoate CAS Name: 3-dodecylheptadecanoic acid phenyl ester IUPAC Name: phenyl 3-dodecylheptadecanoate Traditional Name: 3-laurylheptadecanoic acid phenyl ester Formula: C35H62O2 MolecularWeight: 514.86558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C35H62O2/c1-3-5-7-9-11-13-15-16-18-20-22-25-29-33(32-35(36)37-34-30-26-23-27-31-34)28-24-21-19-17-14-12-10-8-6-4-2/h23,26-27,30-31,33H,3-22,24-25,28-29,32H2,1-2H3