3-(7,7-dimethylundecan-5-yloxycarbonyl)benzoic acid

Systemtic Name: 3-(7,7-dimethylundecan-5-yloxycarbonyl)benzoic acid Openeye Name: 3-(1-butyl-3,3-dimethyl-heptoxy)carbonylbenzoic acid CAS Name: 3-[7,7-dimethylundecan-5-yloxy(oxo)methyl]benzoic acid IUPAC Name: 3-(7,7-dimethylundecan-5-yloxycarbonyl)benzoic acid Traditional Name: 3-(1-butyl-3,3-dimethyl-heptoxy)carbonylbenzoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)(C)CCCC)OC(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCC(CC(C)(C)CCCC)OC(=O)C1=CC=CC(=C1)C(=O)O

InChI

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