[1,3-bis(oxidanyl)-2-phenyl-propyl]carbamothioic S-acid

Systemtic Name: [1,3-bis(oxidanyl)-2-phenyl-propyl]carbamothioic S-acid Openeye Name: (1,3-dihydroxy-2-phenyl-propyl)carbamothioic S-acid CAS Name: (1,3-dihydroxy-2-phenylpropyl)carbamothioic S-acid IUPAC Name: (1,3-dihydroxy-2-phenylpropyl)carbamothioic S-acid Traditional Name: (1,3-dihydroxy-2-phenyl-propyl)thiocarbamic S-acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)C(NC(=O)S)O

Isomeric SMILES

C1=CC=C(C=C1)C(CO)C(NC(=O)S)O

InChI

InChI=1S/C10H13NO3S/c12-6-8(9(13)11-10(14)15)7-4-2-1-3-5-7/h1-5,8-9,12-13H,6H2,(H2,11,14,15)