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2-[(3-octylphenyl)methyl]propanedioic acid

2-[(3-octylphenyl)methyl]propanedioic acid

Systemtic Name:2-[(3-octylphenyl)methyl]propanedioic acid
Openeye Name:2-[(3-octylphenyl)methyl]propanedioic acid
CAS Name:2-[(3-octylphenyl)methyl]propanedioic acid
IUPAC Name:2-[(3-octylphenyl)methyl]propanedioic acid
Traditional Name:2-(3-octylbenzyl)malonic acid
Formula: C18H26O4
MolecularWeight: 306.39664
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC=C1)CC(C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCC1=CC(=CC=C1)CC(C(=O)O)C(=O)O


InChI

InChI=1S/C18H26O4/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)13-16(17(19)20)18(21)22/h8,10-12,16H,2-7,9,13H2,1H3,(H,19,20)(H,21,22)


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