dodecane-1-thiol; prop-2-enenitrile; prop-2-enoic acid

Systemtic Name: dodecane-1-thiol; prop-2-enenitrile; prop-2-enoic acid Openeye Name: acrylic acid; dodecane-1-thiol; prop-2-enenitrile CAS Name: 1-dodecanethiol; 2-propenenitrile; 2-propenoic acid IUPAC Name: dodecane-1-thiol; prop-2-enenitrile; prop-2-enoic acid Traditional Name: acrylic acid; acrylonitrile; dodecane-1-thiol Formula: C18H33NO2S MolecularWeight: 327.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.C=CC#N.C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCS.C=CC#N.C=CC(=O)O

InChI

InChI=1S/C12H26S.C3H3N.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4;1-2-3(4)5/h13H,2-12H2,1H3;2H,1H2;2H,1H2,(H,4,5)