3-(phenylsulfinyl)spiro[4.7]dodecane-4,12-dione

Systemtic Name: 3-(phenylsulfinyl)spiro[4.7]dodecane-4,12-dione Openeye Name: 3-(benzenesulfinyl)spiro[4.7]dodecane-4,12-dione CAS Name: 3-(benzenesulfinyl)spiro[4.7]dodecane-4,12-dione IUPAC Name: 3-(benzenesulfinyl)spiro[4.7]dodecane-4,12-dione Traditional Name: 3-(benzenesulfinyl)spiro[4.7]dodecane-4,12-quinone Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CCC(C2=O)S(=O)C3=CC=CC=C3)C(=O)CC1

Isomeric SMILES

C1CCCC2(CCC(C2=O)S(=O)C3=CC=CC=C3)C(=O)CC1

InChI

InChI=1S/C18H22O3S/c19-16-10-6-1-2-7-12-18(16)13-11-15(17(18)20)22(21)14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2