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3,4-bis(undecoxycarbonyl)benzoic acid

3,4-bis(undecoxycarbonyl)benzoic acid

Systemtic Name:3,4-bis(undecoxycarbonyl)benzoic acid
Openeye Name:3,4-bis(undecoxycarbonyl)benzoic acid
CAS Name:3,4-bis[oxo(undecoxy)methyl]benzoic acid
IUPAC Name:3,4-bis(undecoxycarbonyl)benzoic acid
Traditional Name:3,4-bis(undecoxycarbonyl)benzoic acid
Formula: C31H50O6
MolecularWeight: 518.7251
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCC


InChI

InChI=1S/C31H50O6/c1-3-5-7-9-11-13-15-17-19-23-36-30(34)27-22-21-26(29(32)33)25-28(27)31(35)37-24-20-18-16-14-12-10-8-6-4-2/h21-22,25H,3-20,23-24H2,1-2H3,(H,32,33)


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