3-methyl-2-propan-2-ylidene-pentanethioic S-acid

Systemtic Name: 3-methyl-2-propan-2-ylidene-pentanethioic S-acid Openeye Name: 2-isopropylidene-3-methyl-pentanethioic S-acid CAS Name: 3-methyl-2-propan-2-ylidenepentanethioic S-acid IUPAC Name: 3-methyl-2-propan-2-ylidenepentanethioic S-acid Traditional Name: 3-methyl-2-sec-butyl-but-2-enethioic S-acid Formula: C9H16OS MolecularWeight: 172.28774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=C(C)C)C(=O)S

Isomeric SMILES

CCC(C)C(=C(C)C)C(=O)S

InChI

InChI=1S/C9H16OS/c1-5-7(4)8(6(2)3)9(10)11/h7H,5H2,1-4H3,(H,10,11)