3-dodecyl-4-oxidanyl-5-sulfanyl-naphthalene-1,2-dione

Systemtic Name: 3-dodecyl-4-oxidanyl-5-sulfanyl-naphthalene-1,2-dione Openeye Name: 3-dodecyl-4-hydroxy-5-sulfanyl-naphthalene-1,2-dione CAS Name: 3-dodecyl-4-hydroxy-5-mercaptonaphthalene-1,2-dione IUPAC Name: 3-dodecyl-4-hydroxy-5-sulfanylnaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-lauryl-5-mercapto-1,2-naphthoquinone Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C2=C(C=CC=C2S)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C2=C(C=CC=C2S)C(=O)C1=O)O

InChI

InChI=1S/C22H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-20(23)19-16(21(24)22(17)25)14-12-15-18(19)26/h12,14-15,23,26H,2-11,13H2,1H3