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3-(16-acetyloxyhexadecoxy)-4-phenyl-benzoic acid

3-(16-acetyloxyhexadecoxy)-4-phenyl-benzoic acid

Systemtic Name:3-(16-acetyloxyhexadecoxy)-4-phenyl-benzoic acid
Openeye Name:3-(16-acetoxyhexadecoxy)-4-phenyl-benzoic acid
CAS Name:3-(16-acetyloxyhexadecoxy)-4-phenylbenzoic acid
IUPAC Name:3-(16-acetyloxyhexadecoxy)-4-phenylbenzoic acid
Traditional Name:3-(16-acetoxyhexadecoxy)-4-phenyl-benzoic acid
Formula: C31H44O5
MolecularWeight: 496.67806
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2


Isomeric SMILES

CC(=O)OCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2


InChI

InChI=1S/C31H44O5/c1-26(32)35-23-17-12-10-8-6-4-2-3-5-7-9-11-13-18-24-36-30-25-28(31(33)34)21-22-29(30)27-19-15-14-16-20-27/h14-16,19-22,25H,2-13,17-18,23-24H2,1H3,(H,33,34)


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