2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanyl-methyl]cycloheptane-1,3-dione

Systemtic Name: 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanyl-methyl]cycloheptane-1,3-dione Openeye Name: 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanyl-methyl]cycloheptane-1,3-dione CAS Name: 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(phenylthio)methyl]cycloheptane-1,3-dione IUPAC Name: 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]cycloheptane-1,3-dione Traditional Name: 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(phenylthio)methyl]cycloheptane-1,3-quinone Formula: C19H24O4S MolecularWeight: 348.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C2C(=O)CCCCC2=O)SC3=CC=CC=C3)C

Isomeric SMILES

CC1(OC[C@@H](O1)C(C2C(=O)CCCCC2=O)SC3=CC=CC=C3)C

InChI

InChI=1S/C19H24O4S/c1-19(2)22-12-16(23-19)18(24-13-8-4-3-5-9-13)17-14(20)10-6-7-11-15(17)21/h3-5,8-9,16-18H,6-7,10-12H2,1-2H3/t16-,18?/m1/s1