2-(1,3-benzothiazol-2-ylsulfanyl)-5-dodecylsulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-dodecylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-dodecylsulfanyl-1,4-benzoquinone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-5-(dodecylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-dodecylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-5-(laurylthio)-p-benzoquinone Formula: C25H31NO2S3 MolecularWeight: 473.71414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C25H31NO2S3/c1-2-3-4-5-6-7-8-9-10-13-16-29-23-17-21(28)24(18-20(23)27)31-25-26-19-14-11-12-15-22(19)30-25/h11-12,14-15,17-18H,2-10,13,16H2,1H3