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2-hexadecoxy-3-hexadecyl-benzoic acid

2-hexadecoxy-3-hexadecyl-benzoic acid

Systemtic Name:2-hexadecoxy-3-hexadecyl-benzoic acid
Openeye Name:2-hexadecoxy-3-hexadecyl-benzoic acid
CAS Name:2-hexadecoxy-3-hexadecylbenzoic acid
IUPAC Name:2-hexadecoxy-3-hexadecylbenzoic acid
Traditional Name:3-cetyl-2-cetyloxy-benzoic acid
Formula: C39H70O3
MolecularWeight: 586.9713
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC(=C1OCCCCCCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC(=C1OCCCCCCCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C39H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-36-33-31-34-37(39(40)41)38(36)42-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33-34H,3-30,32,35H2,1-2H3,(H,40,41)


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