2-ethyl-3-methoxy-4-propoxy-benzenecarbothioic S-acid

Systemtic Name: 2-ethyl-3-methoxy-4-propoxy-benzenecarbothioic S-acid Openeye Name: 2-ethyl-3-methoxy-4-propoxy-benzenecarbothioic S-acid CAS Name: 2-ethyl-3-methoxy-4-propoxybenzenecarbothioic S-acid IUPAC Name: 2-ethyl-3-methoxy-4-propoxybenzenecarbothioic S-acid Traditional Name: 2-ethyl-3-methoxy-4-propoxy-thiobenzoic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C=C1)C(=O)S)CC)OC

Isomeric SMILES

CCCOC1=C(C(=C(C=C1)C(=O)S)CC)OC

InChI

InChI=1S/C13H18O3S/c1-4-8-16-11-7-6-10(13(14)17)9(5-2)12(11)15-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)