7-[2-(1-oxidanylcyclohexyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one

Systemtic Name: 7-[2-(1-oxidanylcyclohexyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one Openeye Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one CAS Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-3-(3-hydroxypropyl)-2-benzopyran-1-one IUPAC Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one Traditional Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-3-(3-hydroxypropyl)isocoumarin Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)C=C(OC3=O)CCCO)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)C=C(OC3=O)CCCO)O

InChI

InChI=1S/C20H22O4/c21-12-4-5-17-14-16-7-6-15(13-18(16)19(22)24-17)8-11-20(23)9-2-1-3-10-20/h6-7,13-14,21,23H,1-5,9-10,12H2