3-ethoxy-2-(4-hexylphenyl)-2-methyl-3-oxidanylidene-propanethioic S-acid

Systemtic Name: 3-ethoxy-2-(4-hexylphenyl)-2-methyl-3-oxidanylidene-propanethioic S-acid Openeye Name: 3-ethoxy-2-(4-hexylphenyl)-2-methyl-3-oxo-propanethioic S-acid CAS Name: 3-ethoxy-2-(4-hexylphenyl)-2-methyl-3-oxopropanethioic S-acid IUPAC Name: 3-ethoxy-2-(4-hexylphenyl)-2-methyl-3-oxopropanethioic S-acid Traditional Name: 3-ethoxy-2-(4-hexylphenyl)-3-keto-2-methyl-thiopropionic acid Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(C)(C(=O)OCC)C(=O)S

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(C)(C(=O)OCC)C(=O)S

InChI

InChI=1S/C18H26O3S/c1-4-6-7-8-9-14-10-12-15(13-11-14)18(3,17(20)22)16(19)21-5-2/h10-13H,4-9H2,1-3H3,(H,20,22)