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2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-3-oxidanylidene-propanethioic S-acid

2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-3-oxidanylidene-propanethioic S-acid

Systemtic Name:2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-3-oxidanylidene-propanethioic S-acid
Openeye Name:2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-3-oxo-propanethioic S-acid
CAS Name:2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-3-oxopropanethioic S-acid
IUPAC Name:2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-3-oxopropanethioic S-acid
Traditional Name:3-ethoxy-3-keto-2-veratryl-thiopropionic acid
Formula: C14H18O5S
MolecularWeight: 298.35472
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OC)OC)C(=O)S


Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OC)OC)C(=O)S


InChI

InChI=1S/C14H18O5S/c1-4-19-13(15)10(14(16)20)7-9-5-6-11(17-2)12(8-9)18-3/h5-6,8,10H,4,7H2,1-3H3,(H,16,20)


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