(1-hexadecoxy-3-phenylmethoxy-propan-2-yl) 8-bromanyloctanoate

Systemtic Name: (1-hexadecoxy-3-phenylmethoxy-propan-2-yl) 8-bromanyloctanoate Openeye Name: [1-(benzyloxymethyl)-2-hexadecoxy-ethyl] 8-bromooctanoate CAS Name: 8-bromooctanoic acid (1-hexadecoxy-3-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-hexadecoxy-3-phenylmethoxypropan-2-yl) 8-bromooctanoate Traditional Name: 8-bromocaprylic acid [1-(benzoxymethyl)-2-cetyloxy-ethyl] ester Formula: C34H59BrO4 MolecularWeight: 611.73386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1)OC(=O)CCCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1)OC(=O)CCCCCCCBr

InChI

InChI=1S/C34H59BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-28-37-30-33(31-38-29-32-24-19-18-20-25-32)39-34(36)26-21-15-14-16-22-27-35/h18-20,24-25,33H,2-17,21-23,26-31H2,1H3