9-butyl-4,5-dihydrothiochromeno[4,3-b]pyran-2-carboxylic acid

Systemtic Name: 9-butyl-4,5-dihydrothiochromeno[4,3-b]pyran-2-carboxylic acid Openeye Name: 9-butyl-4,5-dihydrothiochromeno[4,3-b]pyran-2-carboxylic acid CAS Name: 9-butyl-4,5-dihydrothiochromeno[4,3-b]pyran-2-carboxylic acid IUPAC Name: 9-butyl-4,5-dihydrothiochromeno[4,3-b]pyran-2-carboxylic acid Traditional Name: 9-butyl-4,5-dihydrothiochromeno[4,3-b]pyran-2-carboxylic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=CC3)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=CC3)C(=O)O

InChI

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