4-ethenyl-6-(2-hydroxyethyloxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 4-ethenyl-6-(2-hydroxyethyloxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-4-vinyl-cyclohex-4-ene-1,3-dione CAS Name: 4-ethenyl-6-(2-hydroxyethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 4-ethenyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-5-(phenylthio)-4-vinyl-cyclohex-4-ene-1,3-quinone Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

C=CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C17H18O4S/c1-2-13-15(19)10-16(20)14(11-21-9-8-18)17(13)22-12-6-4-3-5-7-12/h2-7,14,18H,1,8-11H2