2-octadecylsulfanylnaphthalene-1,4-dione

Systemtic Name: 2-octadecylsulfanylnaphthalene-1,4-dione Openeye Name: 2-octadecylsulfanylnaphthalene-1,4-dione CAS Name: 2-(octadecylthio)naphthalene-1,4-dione IUPAC Name: 2-octadecylsulfanylnaphthalene-1,4-dione Traditional Name: 2-(stearylthio)-1,4-naphthoquinone Formula: C28H42O2S MolecularWeight: 442.69688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C28H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27-23-26(29)24-20-17-18-21-25(24)28(27)30/h17-18,20-21,23H,2-16,19,22H2,1H3