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(E)-3-(1,3-benzodioxol-5-yl)-2-(ethanoylsulfanylmethyl)prop-2-enoic acid

(E)-3-(1,3-benzodioxol-5-yl)-2-(ethanoylsulfanylmethyl)prop-2-enoic acid

Systemtic Name:(E)-3-(1,3-benzodioxol-5-yl)-2-(ethanoylsulfanylmethyl)prop-2-enoic acid
Openeye Name:(E)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
CAS Name:(E)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)-2-propenoic acid
IUPAC Name:(E)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Traditional Name:(E)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)acrylic acid
Formula: C13H12O5S
MolecularWeight: 280.29638
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=CC1=CC2=C(C=C1)OCO2)C(=O)O


Isomeric SMILES

CC(=O)SC/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)O


InChI

InChI=1S/C13H12O5S/c1-8(14)19-6-10(13(15)16)4-9-2-3-11-12(5-9)18-7-17-11/h2-5H,6-7H2,1H3,(H,15,16)/b10-4-


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