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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4,5-bis(phenylsulfanyl)cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4,5-bis(phenylsulfanyl)cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4,5-bis(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-4,5-bis(phenylsulfanyl)cyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4,5-bis(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(=C(C1=O)SC2=CC=CC=C2)SC3=CC=CC=C3)COCCO

Isomeric SMILES

C1C(=O)C(C(=C(C1=O)SC2=CC=CC=C2)SC3=CC=CC=C3)COCCO

InChI

InChI=1S/C21H20O4S2/c22-11-12-25-14-17-18(23)13-19(24)21(27-16-9-5-2-6-10-16)20(17)26-15-7-3-1-4-8-15/h1-10,17,22H,11-14H2