2-(hydroxymethyl)-7-oxidanyl-8-propyl-thiochromen-4-one

Systemtic Name: 2-(hydroxymethyl)-7-oxidanyl-8-propyl-thiochromen-4-one Openeye Name: 7-hydroxy-2-(hydroxymethyl)-8-propyl-thiochromen-4-one CAS Name: 7-hydroxy-2-(hydroxymethyl)-8-propyl-1-benzothiopyran-4-one IUPAC Name: 7-hydroxy-2-(hydroxymethyl)-8-propylthiochromen-4-one Traditional Name: 7-hydroxy-2-methylol-8-propyl-thiochromen-4-one Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1SC(=CC2=O)CO)O

Isomeric SMILES

CCCC1=C(C=CC2=C1SC(=CC2=O)CO)O

InChI

InChI=1S/C13H14O3S/c1-2-3-9-11(15)5-4-10-12(16)6-8(7-14)17-13(9)10/h4-6,14-15H,2-3,7H2,1H3