3-octadecylsulfanyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-octadecylsulfanyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-octadecylsulfanyl-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(octadecylthio)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-octadecylsulfanylnaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(stearylthio)-1,2-naphthoquinone Formula: C28H42O3S MolecularWeight: 458.69628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C28H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28-26(30)24-21-18-17-20-23(24)25(29)27(28)31/h17-18,20-21,30H,2-16,19,22H2,1H3