7-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-3,4-dihydro-2H-chromen-6-ol

Systemtic Name: 7-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-3,4-dihydro-2H-chromen-6-ol Openeye Name: 7-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]chroman-6-ol CAS Name: 7-[[[2-(hydroxymethyl)phenyl]thio]methyl]-3,4-dihydro-2H-1-benzopyran-6-ol IUPAC Name: 7-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-3,4-dihydro-2H-chromen-6-ol Traditional Name: 7-[[(2-methylolphenyl)thio]methyl]chroman-6-ol Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2OC1)CSC3=CC=CC=C3CO)O

Isomeric SMILES

C1CC2=CC(=C(C=C2OC1)CSC3=CC=CC=C3CO)O

InChI

InChI=1S/C17H18O3S/c18-10-13-4-1-2-6-17(13)21-11-14-9-16-12(8-15(14)19)5-3-7-20-16/h1-2,4,6,8-9,18-19H,3,5,7,10-11H2