2-acetyloxy-2-phenyl-ethanoic acid; 2-(3-ethylheptyl)cyclopropan-1-one

Systemtic Name: 2-acetyloxy-2-phenyl-ethanoic acid; 2-(3-ethylheptyl)cyclopropan-1-one Openeye Name: 2-acetoxy-2-phenyl-acetic acid; 2-(3-ethylheptyl)cyclopropanone CAS Name: 2-acetyloxy-2-phenylacetic acid; 2-(3-ethylheptyl)-1-cyclopropanone IUPAC Name: 2-acetyloxy-2-phenylacetic acid; 2-(3-ethylheptyl)cyclopropan-1-one Traditional Name: 2-acetoxy-2-phenyl-acetic acid; 2-(3-ethylheptyl)cyclopropanone Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC1CC1=O.CC(=O)OC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)CCC1CC1=O.CC(=O)OC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H22O.C10H10O4/c1-3-5-6-10(4-2)7-8-11-9-12(11)13;1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h10-11H,3-9H2,1-2H3;2-6,9H,1H3,(H,12,13)