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

Systemtic Name: 4-(2-methylundecan-5-yloxycarbonyl)benzoic acid Openeye Name: 4-(1-isopentylheptoxycarbonyl)benzoic acid CAS Name: 4-[2-methylundecan-5-yloxy(oxo)methyl]benzoic acid IUPAC Name: 4-(2-methylundecan-5-yloxycarbonyl)benzoic acid Traditional Name: 4-(1-isoamylheptoxycarbonyl)benzoic acid Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4/c1-4-5-6-7-8-18(14-9-15(2)3)24-20(23)17-12-10-16(11-13-17)19(21)22/h10-13,15,18H,4-9,14H2,1-3H3,(H,21,22)