4-(2-ethylbutyl)-2-heptan-3-yl-benzene-1,3-dicarboxylate

Systemtic Name: 4-(2-ethylbutyl)-2-heptan-3-yl-benzene-1,3-dicarboxylate Openeye Name: 4-(2-ethylbutyl)-2-(1-ethylpentyl)benzene-1,3-dicarboxylate CAS Name: 4-(2-ethylbutyl)-2-heptan-3-ylbenzene-1,3-dicarboxylate IUPAC Name: 4-(2-ethylbutyl)-2-heptan-3-ylbenzene-1,3-dicarboxylate Traditional Name: 4-(2-ethylbutyl)-2-(1-ethylpentyl)isophthalate Formula: C21H30O4-2 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C=CC(=C1C(=O)[O-])CC(CC)CC)C(=O)[O-]

Isomeric SMILES

CCCCC(CC)C1=C(C=CC(=C1C(=O)[O-])CC(CC)CC)C(=O)[O-]

InChI

InChI=1S/C21H32O4/c1-5-9-10-15(8-4)18-17(20(22)23)12-11-16(19(18)21(24)25)13-14(6-2)7-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,22,23)(H,24,25)/p-2