4-icosylsulfanylbenzene-1,2-diol

Systemtic Name: 4-icosylsulfanylbenzene-1,2-diol Openeye Name: 4-icosylsulfanylbenzene-1,2-diol CAS Name: 4-(eicosylthio)benzene-1,2-diol IUPAC Name: 4-icosylsulfanylbenzene-1,2-diol Traditional Name: 4-(arachylthio)pyrocatechol Formula: C26H46O2S MolecularWeight: 422.70724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C26H46O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24-20-21-25(27)26(28)23-24/h20-21,23,27-28H,2-19,22H2,1H3