4-(1-adamantylsulfanylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(1-adamantylsulfanylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 4-(1-adamantylsulfanylmethyl)-7-hydroxy-chromen-2-one CAS Name: 4-[(1-adamantylthio)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(1-adamantylsulfanylmethyl)-7-hydroxychromen-2-one Traditional Name: 4-[(1-adamantylthio)methyl]-7-hydroxy-coumarin Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C20H22O3S/c21-16-1-2-17-15(6-19(22)23-18(17)7-16)11-24-20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,6-7,12-14,21H,3-5,8-11H2