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8,9-diphenylhexadecanedioic acid

8,9-diphenylhexadecanedioic acid

Systemtic Name:8,9-diphenylhexadecanedioic acid
Openeye Name:8,9-diphenylhexadecanedioic acid
CAS Name:8,9-diphenylhexadecanedioic acid
IUPAC Name:8,9-diphenylhexadecanedioic acid
Traditional Name:8,9-diphenylthapsic acid
Formula: C28H38O4
MolecularWeight: 438.59892
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H38O4/c29-27(30)21-13-3-1-11-19-25(23-15-7-5-8-16-23)26(24-17-9-6-10-18-24)20-12-2-4-14-22-28(31)32/h5-10,15-18,25-26H,1-4,11-14,19-22H2,(H,29,30)(H,31,32)


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