[(E)-2-cyanoethenyl]azanium; dodecane-1-thiol; prop-2-enoic acid

Systemtic Name: [(E)-2-cyanoethenyl]azanium; dodecane-1-thiol; prop-2-enoic acid Openeye Name: acrylic acid; [(E)-2-cyanovinyl]ammonium; dodecane-1-thiol CAS Name: [(E)-2-cyanoethenyl]ammonium; 1-dodecanethiol; 2-propenoic acid IUPAC Name: [(E)-2-cyanoethenyl]azanium; dodecane-1-thiol; prop-2-enoic acid Traditional Name: acrylic acid; [(E)-2-cyanovinyl]ammonium; dodecane-1-thiol Formula: C18H35N2O2S+ MolecularWeight: 343.5477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.C=CC(=O)O.C(=C[NH3+])C#N

Isomeric SMILES

CCCCCCCCCCCCS.C=CC(=O)O.C(=C/[NH3+])\C#N

InChI

InChI=1S/C12H26S.C3H4N2.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;4-2-1-3-5;1-2-3(4)5/h13H,2-12H2,1H3;1-2H,4H2;2H,1H2,(H,4,5)/p+1/b;2-1+;