2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-[4-methyl-1-(phenylthio)pent-3-enyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-(4-methyl-1-phenylsulfanylpent-3-enyl)naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-[4-methyl-1-(phenylthio)pent-3-enyl]-1,4-naphthoquinone Formula: C22H20O4S MolecularWeight: 380.4568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)SC3=CC=CC=C3)C

Isomeric SMILES

CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)SC3=CC=CC=C3)C

InChI

InChI=1S/C22H20O4S/c1-13(2)8-11-19(27-14-6-4-3-5-7-14)15-12-18(25)20-16(23)9-10-17(24)21(20)22(15)26/h3-10,12,19,23-24H,11H2,1-2H3