2-(6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)propanedioic acid

Systemtic Name: 2-(6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)propanedioic acid Openeye Name: 2-(6-sulfanylchroman-2-yl)propanedioic acid CAS Name: 2-(6-mercapto-3,4-dihydro-2H-1-benzopyran-2-yl)propanedioic acid IUPAC Name: 2-(6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)propanedioic acid Traditional Name: 2-(6-mercaptochroman-2-yl)malonic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S)OC1C(C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S)OC1C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H12O5S/c13-11(14)10(12(15)16)9-3-1-6-5-7(18)2-4-8(6)17-9/h2,4-5,9-10,18H,1,3H2,(H,13,14)(H,15,16)