4-(4-heptadecylphenyl)sulfanylbenzene-1,2-diol

Systemtic Name: 4-(4-heptadecylphenyl)sulfanylbenzene-1,2-diol Openeye Name: 4-(4-heptadecylphenyl)sulfanylbenzene-1,2-diol CAS Name: 4-[(4-heptadecylphenyl)thio]benzene-1,2-diol IUPAC Name: 4-(4-heptadecylphenyl)sulfanylbenzene-1,2-diol Traditional Name: 4-[(4-heptadecylphenyl)thio]pyrocatechol Formula: C29H44O2S MolecularWeight: 456.72346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC=C(C=C1)SC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC=C(C=C1)SC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C29H44O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-20-26(21-19-25)32-27-22-23-28(30)29(31)24-27/h18-24,30-31H,2-17H2,1H3