1-(bromomethyl)-3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]benzene

Systemtic Name: 1-(bromomethyl)-3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]benzene Openeye Name: 1-(bromomethyl)-3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]benzene CAS Name: 1-(bromomethyl)-3-[(3-hexadecoxy-2-methoxypropoxy)methyl]benzene IUPAC Name: 1-(bromomethyl)-3-[(3-hexadecoxy-2-methoxypropoxy)methyl]benzene Traditional Name: 1-(bromomethyl)-3-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzene Formula: C28H49BrO3 MolecularWeight: 513.59086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC(=CC=C1)CBr)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC(=CC=C1)CBr)OC

InChI

InChI=1S/C28H49BrO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-24-28(30-2)25-32-23-27-19-17-18-26(21-27)22-29/h17-19,21,28H,3-16,20,22-25H2,1-2H3