2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-5,8-bis(oxidanyl)-7-phenylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-5,8-bis(oxidanyl)-7-phenylsulfanyl-naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-7-phenylsulfanyl-naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-[4-methyl-1-(phenylthio)pent-3-enyl]-7-(phenylthio)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-(4-methyl-1-phenylsulfanylpent-3-enyl)-7-phenylsulfanylnaphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-[4-methyl-1-(phenylthio)pent-3-enyl]-7-(phenylthio)-1,4-naphthoquinone Formula: C28H24O4S2 MolecularWeight: 488.61776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C1=CC(=O)C2=C(C1=O)C(=C(C=C2O)SC3=CC=CC=C3)O)SC4=CC=CC=C4)C

Isomeric SMILES

CC(=CCC(C1=CC(=O)C2=C(C1=O)C(=C(C=C2O)SC3=CC=CC=C3)O)SC4=CC=CC=C4)C

InChI

InChI=1S/C28H24O4S2/c1-17(2)13-14-23(33-18-9-5-3-6-10-18)20-15-21(29)25-22(30)16-24(28(32)26(25)27(20)31)34-19-11-7-4-8-12-19/h3-13,15-16,23,30,32H,14H2,1-2H3