2-octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid

Systemtic Name: 2-octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid Openeye Name: 2-(1-methylheptoxycarbonyl)benzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid CAS Name: 2-[octan-2-yloxy(oxo)methyl]benzoic acid; 2-[oxo(2-phenoxyethoxy)methyl]benzoic acid IUPAC Name: 2-octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid Traditional Name: 2-(1-methylheptoxycarbonyl)benzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid Formula: C32H36O9 MolecularWeight: 564.62284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O.C1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O.C1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14O5.C16H22O4/c17-15(18)13-8-4-5-9-14(13)16(19)21-11-10-20-12-6-2-1-3-7-12;1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h1-9H,10-11H2,(H,17,18);7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)