(E)-4-butoxy-4-oxidanylidene-but-2-enoate; 2-sulfanylethanol

Systemtic Name: (E)-4-butoxy-4-oxidanylidene-but-2-enoate; 2-sulfanylethanol Openeye Name: (E)-4-butoxy-4-oxo-but-2-enoate; 2-sulfanylethanol CAS Name: (E)-4-butoxy-4-oxo-2-butenoate; 2-mercaptoethanol IUPAC Name: (E)-4-butoxy-4-oxobut-2-enoate; 2-sulfanylethanol Traditional Name: (E)-4-butoxy-4-keto-but-2-enoate; 2-mercaptoethanol Formula: C10H17O5S- MolecularWeight: 249.30398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC(=O)[O-].C(CS)O

Isomeric SMILES

CCCCOC(=O)/C=C/C(=O)[O-].C(CS)O

InChI

InChI=1S/C8H12O4.C2H6OS/c1-2-3-6-12-8(11)5-4-7(9)10;3-1-2-4/h4-5H,2-3,6H2,1H3,(H,9,10);3-4H,1-2H2/p-1/b5-4+;