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4-butyl-3-octyl-phthalic acid

4-butyl-3-octyl-phthalic acid

Systemtic Name:4-butyl-3-octyl-phthalic acid
Openeye Name:4-butyl-3-octyl-phthalic acid
CAS Name:4-butyl-3-octylphthalic acid
IUPAC Name:4-butyl-3-octylphthalic acid
Traditional Name:4-butyl-3-octyl-phthalic acid
Formula: C20H30O4
MolecularWeight: 334.4498
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CCCC


Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CCCC


InChI

InChI=1S/C20H30O4/c1-3-5-7-8-9-10-12-16-15(11-6-4-2)13-14-17(19(21)22)18(16)20(23)24/h13-14H,3-12H2,1-2H3,(H,21,22)(H,23,24)


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