2-(8-ethyl-9-methyl-decan-3-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2-(8-ethyl-9-methyl-decan-3-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2-(1,6-diethyl-7-methyl-octyl)benzene-1,3-dicarboxylic acid CAS Name: 2-(8-ethyl-9-methyldecan-3-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(8-ethyl-9-methyldecan-3-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2-(1,6-diethyl-7-methyl-octyl)isophthalic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(CC)C(C)C)C1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCC(CCCCC(CC)C(C)C)C1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C21H32O4/c1-5-15(14(3)4)10-7-8-11-16(6-2)19-17(20(22)23)12-9-13-18(19)21(24)25/h9,12-16H,5-8,10-11H2,1-4H3,(H,22,23)(H,24,25)