4a-butan-2-yl-9-oxidanyl-3,4-dihydro-2H-xanthen-1-one

Systemtic Name: 4a-butan-2-yl-9-oxidanyl-3,4-dihydro-2H-xanthen-1-one Openeye Name: 9-hydroxy-4a-sec-butyl-3,4-dihydro-2H-xanthen-1-one CAS Name: 4a-butan-2-yl-9-hydroxy-3,4-dihydro-2H-xanthen-1-one IUPAC Name: 4a-butan-2-yl-9-hydroxy-3,4-dihydro-2H-xanthen-1-one Traditional Name: 9-hydroxy-4a-sec-butyl-3,4-dihydro-2H-xanthen-1-one Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C12CCCC(=O)C1=C(C3=CC=CC=C3O2)O

Isomeric SMILES

CCC(C)C12CCCC(=O)C1=C(C3=CC=CC=C3O2)O

InChI

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