4-ethyl-3-(1-oxidanylcyclohexyl)isochromen-1-one

Systemtic Name: 4-ethyl-3-(1-oxidanylcyclohexyl)isochromen-1-one Openeye Name: 4-ethyl-3-(1-hydroxycyclohexyl)isochromen-1-one CAS Name: 4-ethyl-3-(1-hydroxycyclohexyl)-2-benzopyran-1-one IUPAC Name: 4-ethyl-3-(1-hydroxycyclohexyl)isochromen-1-one Traditional Name: 4-ethyl-3-(1-hydroxycyclohexyl)isocoumarin Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=O)C2=CC=CC=C21)C3(CCCCC3)O

Isomeric SMILES

CCC1=C(OC(=O)C2=CC=CC=C21)C3(CCCCC3)O

InChI

InChI=1S/C17H20O3/c1-2-12-13-8-4-5-9-14(13)16(18)20-15(12)17(19)10-6-3-7-11-17/h4-5,8-9,19H,2-3,6-7,10-11H2,1H3