3-(5,5-dimethylhexyl)-1,2-dioxirane-3-carboxylic acid; propan-2-ylbenzene

Systemtic Name: 3-(5,5-dimethylhexyl)-1,2-dioxirane-3-carboxylic acid; propan-2-ylbenzene Openeye Name: cumene; 3-(5,5-dimethylhexyl)dioxirane-3-carboxylic acid CAS Name: cumene; 3-(5,5-dimethylhexyl)-3-dioxiranecarboxylic acid IUPAC Name: cumene; 3-(5,5-dimethylhexyl)dioxirane-3-carboxylic acid Traditional Name: cumene; 3-(5,5-dimethylhexyl)dioxirane-3-carboxylic acid Formula: C19H30O4 MolecularWeight: 322.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1.CC(C)(C)CCCCC1(OO1)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1.CC(C)(C)CCCCC1(OO1)C(=O)O

InChI

InChI=1S/C10H18O4.C9H12/c1-9(2,3)6-4-5-7-10(8(11)12)13-14-10;1-8(2)9-6-4-3-5-7-9/h4-7H2,1-3H3,(H,11,12);3-8H,1-2H3