3-oxidanyl-2-(phenylmethyl)pent-4-enethioic S-acid

Systemtic Name: 3-oxidanyl-2-(phenylmethyl)pent-4-enethioic S-acid Openeye Name: 2-benzyl-3-hydroxy-pent-4-enethioic S-acid CAS Name: 3-hydroxy-2-(phenylmethyl)-4-pentenethioic S-acid IUPAC Name: 2-benzyl-3-hydroxypent-4-enethioic S-acid Traditional Name: 2-benzyl-3-hydroxy-pent-4-enethioic S-acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(CC1=CC=CC=C1)C(=O)S)O

Isomeric SMILES

C=CC(C(CC1=CC=CC=C1)C(=O)S)O

InChI

InChI=1S/C12H14O2S/c1-2-11(13)10(12(14)15)8-9-6-4-3-5-7-9/h2-7,10-11,13H,1,8H2,(H,14,15)