3-(3-decylsulfanyl-3-methyl-butyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(3-decylsulfanyl-3-methyl-butyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(3-decylsulfanyl-3-methyl-butyl)-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[3-(decylthio)-3-methylbutyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-(3-decylsulfanyl-3-methylbutyl)-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[3-(decylthio)-3-methyl-butyl]-4-hydroxy-1,2-naphthoquinone Formula: C25H36O3S MolecularWeight: 416.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC(C)(C)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCSC(C)(C)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C25H36O3S/c1-4-5-6-7-8-9-10-13-18-29-25(2,3)17-16-21-22(26)19-14-11-12-15-20(19)23(27)24(21)28/h11-12,14-15,26H,4-10,13,16-18H2,1-3H3