3-(6-methylheptyl)-4-propan-2-yl-phthalate

Systemtic Name: 3-(6-methylheptyl)-4-propan-2-yl-phthalate Openeye Name: 4-isopropyl-3-(6-methylheptyl)phthalate CAS Name: 3-(6-methylheptyl)-4-propan-2-ylphthalate IUPAC Name: 3-(6-methylheptyl)-4-propan-2-ylphthalate Traditional Name: 4-isopropyl-3-(6-methylheptyl)phthalate Formula: C19H26O4-2 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(C)C

Isomeric SMILES

CC(C)CCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(C)C

InChI

InChI=1S/C19H28O4/c1-12(2)8-6-5-7-9-15-14(13(3)4)10-11-16(18(20)21)17(15)19(22)23/h10-13H,5-9H2,1-4H3,(H,20,21)(H,22,23)/p-2