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19-phenylheptatriacontanedioic acid

19-phenylheptatriacontanedioic acid

Systemtic Name:19-phenylheptatriacontanedioic acid
Openeye Name:19-phenylheptatriacontanedioic acid
CAS Name:19-phenylheptatriacontanedioic acid
IUPAC Name:19-phenylheptatriacontanedioic acid
Traditional Name:19-phenylheptatriacontanedioic acid
Formula: C43H76O4
MolecularWeight: 657.06114
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCC(=O)O


InChI

InChI=1S/C43H76O4/c44-42(45)38-32-25-21-17-13-9-5-1-3-7-11-15-19-23-28-34-40(41-36-30-27-31-37-41)35-29-24-20-16-12-8-4-2-6-10-14-18-22-26-33-39-43(46)47/h27,30-31,36-37,40H,1-26,28-29,32-35,38-39H2,(H,44,45)(H,46,47)


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