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

Systemtic Name: 3-dodecylsulfanyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-dodecylsulfanyl-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-(dodecylthio)-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-dodecylsulfanyl-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(laurylthio)-1,2-naphthoquinone Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C22H30O3S/c1-2-3-4-5-6-7-8-9-10-13-16-26-22-20(24)18-15-12-11-14-17(18)19(23)21(22)25/h11-12,14-15,24H,2-10,13,16H2,1H3