2-[(2-butylphenyl)methyl]decanedioate

Systemtic Name: 2-[(2-butylphenyl)methyl]decanedioate Openeye Name: 2-[(2-butylphenyl)methyl]decanedioate CAS Name: 2-[(2-butylphenyl)methyl]decanedioate IUPAC Name: 2-[(2-butylphenyl)methyl]decanedioate Traditional Name: 2-(2-butylbenzyl)sebacate Formula: C21H30O4-2 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1CC(CCCCCCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1CC(CCCCCCCC(=O)[O-])C(=O)[O-]

InChI

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