(E)-3-[4-(3-methylbutyl)phenyl]prop-2-enethioic S-acid

Systemtic Name: (E)-3-[4-(3-methylbutyl)phenyl]prop-2-enethioic S-acid Openeye Name: (E)-3-(4-isopentylphenyl)prop-2-enethioic S-acid CAS Name: (E)-3-[4-(3-methylbutyl)phenyl]-2-propenethioic S-acid IUPAC Name: (E)-3-[4-(3-methylbutyl)phenyl]prop-2-enethioic S-acid Traditional Name: (E)-3-(4-isoamylphenyl)thioacrylic acid Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)C=CC(=O)S

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)/C=C/C(=O)S

InChI

InChI=1S/C14H18OS/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-11H,3-4H2,1-2H3,(H,15,16)/b10-9+