5,8-dimethoxy-2-(4-methyl-1-pentylsulfanyl-pent-3-enyl)naphthalene-1,4-dione

Systemtic Name: 5,8-dimethoxy-2-(4-methyl-1-pentylsulfanyl-pent-3-enyl)naphthalene-1,4-dione Openeye Name: 5,8-dimethoxy-2-(4-methyl-1-pentylsulfanyl-pent-3-enyl)naphthalene-1,4-dione CAS Name: 5,8-dimethoxy-2-[4-methyl-1-(pentylthio)pent-3-enyl]naphthalene-1,4-dione IUPAC Name: 5,8-dimethoxy-2-(4-methyl-1-pentylsulfanylpent-3-enyl)naphthalene-1,4-dione Traditional Name: 2-[1-(amylthio)-4-methyl-pent-3-enyl]-5,8-dimethoxy-1,4-naphthoquinone Formula: C23H30O4S MolecularWeight: 402.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

Isomeric SMILES

CCCCCSC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

InChI

InChI=1S/C23H30O4S/c1-6-7-8-13-28-20(12-9-15(2)3)16-14-17(24)21-18(26-4)10-11-19(27-5)22(21)23(16)25/h9-11,14,20H,6-8,12-13H2,1-5H3