9-butyl-3-(hydroxymethyl)-5H-thiochromeno[4,3-b]pyran-4-one

Systemtic Name: 9-butyl-3-(hydroxymethyl)-5H-thiochromeno[4,3-b]pyran-4-one Openeye Name: 9-butyl-3-(hydroxymethyl)-5H-thiochromeno[4,3-b]pyran-4-one CAS Name: 9-butyl-3-(hydroxymethyl)-5H-thiochromeno[4,3-b]pyran-4-one IUPAC Name: 9-butyl-3-(hydroxymethyl)-5H-thiochromeno[4,3-b]pyran-4-one Traditional Name: 9-butyl-3-methylol-5H-thiochromeno[4,3-b]pyran-4-one Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SCC3=C2OC=C(C3=O)CO

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SCC3=C2OC=C(C3=O)CO

InChI

InChI=1S/C17H18O3S/c1-2-3-4-11-5-6-15-13(7-11)17-14(10-21-15)16(19)12(8-18)9-20-17/h5-7,9,18H,2-4,8,10H2,1H3