4-(2-methyldecan-5-yloxycarbonyl)benzoic acid

Systemtic Name: 4-(2-methyldecan-5-yloxycarbonyl)benzoic acid Openeye Name: 4-(1-isopentylhexoxycarbonyl)benzoic acid CAS Name: 4-[2-methyldecan-5-yloxy(oxo)methyl]benzoic acid IUPAC Name: 4-(2-methyldecan-5-yloxycarbonyl)benzoic acid Traditional Name: 4-(1-isoamylhexoxycarbonyl)benzoic acid Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(C)C)OC(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCC(CCC(C)C)OC(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C19H28O4/c1-4-5-6-7-17(13-8-14(2)3)23-19(22)16-11-9-15(10-12-16)18(20)21/h9-12,14,17H,4-8,13H2,1-3H3,(H,20,21)