(4E)-4-[[3-(carboxymethyl)phenyl]methylidene]-3-oxidanylidene-2-sulfanyl-hexanoic acid

Systemtic Name: (4E)-4-[[3-(carboxymethyl)phenyl]methylidene]-3-oxidanylidene-2-sulfanyl-hexanoic acid Openeye Name: (4E)-4-[[3-(carboxymethyl)phenyl]methylene]-3-oxo-2-sulfanyl-hexanoic acid CAS Name: (4E)-4-[[3-(carboxymethyl)phenyl]methylidene]-2-mercapto-3-oxohexanoic acid IUPAC Name: (4E)-4-[[3-(carboxymethyl)phenyl]methylidene]-3-oxo-2-sulfanylhexanoic acid Traditional Name: (E)-5-[3-(carboxymethyl)phenyl]-4-ethyl-3-keto-2-mercapto-pent-4-enoic acid Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C(=C\C1=CC(=CC=C1)CC(=O)O)/C(=O)C(C(=O)O)S

InChI

InChI=1S/C15H16O5S/c1-2-11(13(18)14(21)15(19)20)7-9-4-3-5-10(6-9)8-12(16)17/h3-7,14,21H,2,8H2,1H3,(H,16,17)(H,19,20)/b11-7+