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2,3-bis(16-methylheptadecoxycarbonyl)benzoic acid

2,3-bis(16-methylheptadecoxycarbonyl)benzoic acid

Systemtic Name:2,3-bis(16-methylheptadecoxycarbonyl)benzoic acid
Openeye Name:2,3-bis(16-methylheptadecoxycarbonyl)benzoic acid
CAS Name:2,3-bis[16-methylheptadecoxy(oxo)methyl]benzoic acid
IUPAC Name:2,3-bis(16-methylheptadecoxycarbonyl)benzoic acid
Traditional Name:2,3-bis(16-methylheptadecoxycarbonyl)benzoic acid
Formula: C45H78O6
MolecularWeight: 715.09722
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)O


Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)O


InChI

InChI=1S/C45H78O6/c1-38(2)32-27-23-19-15-11-7-5-9-13-17-21-25-29-36-50-44(48)41-35-31-34-40(43(46)47)42(41)45(49)51-37-30-26-22-18-14-10-6-8-12-16-20-24-28-33-39(3)4/h31,34-35,38-39H,5-30,32-33,36-37H2,1-4H3,(H,46,47)


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