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2-(5,9-diethyltridecan-7-ylidene)butanedioic acid

2-(5,9-diethyltridecan-7-ylidene)butanedioic acid

Systemtic Name:2-(5,9-diethyltridecan-7-ylidene)butanedioic acid
Openeye Name:2-[3-ethyl-1-(2-ethylhexyl)heptylidene]butanedioic acid
CAS Name:2-(5,9-diethyltridecan-7-ylidene)butanedioic acid
IUPAC Name:2-(5,9-diethyltridecan-7-ylidene)butanedioic acid
Traditional Name:2-[3-ethyl-1-(2-ethylhexyl)heptylidene]succinic acid
Formula: C21H38O4
MolecularWeight: 354.52402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=C(CC(=O)O)C(=O)O)CC(CC)CCCC


Isomeric SMILES

CCCCC(CC)CC(=C(CC(=O)O)C(=O)O)CC(CC)CCCC


InChI

InChI=1S/C21H38O4/c1-5-9-11-16(7-3)13-18(14-17(8-4)12-10-6-2)19(21(24)25)15-20(22)23/h16-17H,5-15H2,1-4H3,(H,22,23)(H,24,25)


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