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4-pentadecoxycarbonyl-2,3-di(tridecyl)benzoic acid

4-pentadecoxycarbonyl-2,3-di(tridecyl)benzoic acid

Systemtic Name:4-pentadecoxycarbonyl-2,3-di(tridecyl)benzoic acid
Openeye Name:4-pentadecoxycarbonyl-2,3-di(tridecyl)benzoic acid
CAS Name:4-[oxo(pentadecoxy)methyl]-2,3-di(tridecyl)benzoic acid
IUPAC Name:4-pentadecoxycarbonyl-2,3-di(tridecyl)benzoic acid
Traditional Name:4-pentadecoxycarbonyl-2,3-di(tridecyl)benzoic acid
Formula: C49H88O4
MolecularWeight: 741.22062
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)C(=O)O)CCCCCCCCCCCCC)CCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)C(=O)O)CCCCCCCCCCCCC)CCCCCCCCCCCCC


InChI

InChI=1S/C49H88O4/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-43-53-49(52)47-42-41-46(48(50)51)44(39-36-33-30-27-24-20-17-14-11-8-5-2)45(47)40-37-34-31-28-25-21-18-15-12-9-6-3/h41-42H,4-40,43H2,1-3H3,(H,50,51)


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