[6-(phenylmethyl)-1,3-benzodioxol-5-yl]methanethiol

Systemtic Name: [6-(phenylmethyl)-1,3-benzodioxol-5-yl]methanethiol Openeye Name: (6-benzyl-1,3-benzodioxol-5-yl)methanethiol CAS Name: [6-(phenylmethyl)-1,3-benzodioxol-5-yl]methanethiol IUPAC Name: (6-benzyl-1,3-benzodioxol-5-yl)methanethiol Traditional Name: (6-benzyl-1,3-benzodioxol-5-yl)methanethiol Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=CC=CC=C3)CS

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=CC=CC=C3)CS

InChI

InChI=1S/C15H14O2S/c18-9-13-8-15-14(16-10-17-15)7-12(13)6-11-4-2-1-3-5-11/h1-5,7-8,18H,6,9-10H2