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19-(3-methylphenyl)heptatriacontanedioic acid

19-(3-methylphenyl)heptatriacontanedioic acid

Systemtic Name:19-(3-methylphenyl)heptatriacontanedioic acid
Openeye Name:19-(m-tolyl)heptatriacontanedioic acid
CAS Name:19-(3-methylphenyl)heptatriacontanedioic acid
IUPAC Name:19-(3-methylphenyl)heptatriacontanedioic acid
Traditional Name:19-(m-tolyl)heptatriacontanedioic acid
Formula: C44H78O4
MolecularWeight: 671.08772
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCC(=O)O


Isomeric SMILES

CC1=CC(=CC=C1)C(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCC(=O)O


InChI

InChI=1S/C44H78O4/c1-40-33-32-36-42(39-40)41(34-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-37-43(45)46)35-29-25-21-17-13-9-5-3-7-11-15-19-23-27-31-38-44(47)48/h32-33,36,39,41H,2-31,34-35,37-38H2,1H3,(H,45,46)(H,47,48)


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