3-[(6-oxidanyl-3-oxidanylidene-8,9-dihydro-7H-cyclopenta[f]chromen-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-oxidanyl-3-oxidanylidene-8,9-dihydro-7H-cyclopenta[f]chromen-1-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(6-hydroxy-3-oxo-8,9-dihydro-7H-cyclopenta[f]chromen-1-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-hydroxy-3-oxo-8,9-dihydro-7H-cyclopenta[f][1]benzopyran-1-yl)methylthio]propanoic acid IUPAC Name: 3-[(6-hydroxy-3-oxo-8,9-dihydro-7H-cyclopenta[f]chromen-1-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(6-hydroxy-3-keto-8,9-dihydro-7H-cyclopenta[f]chromen-1-yl)methylthio]propionic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C3C(=C2C1)C(=CC(=O)O3)CSCCC(=O)O)O

Isomeric SMILES

C1CC2=C(C=C3C(=C2C1)C(=CC(=O)O3)CSCCC(=O)O)O

InChI

InChI=1S/C16H16O5S/c17-12-7-13-16(11-3-1-2-10(11)12)9(6-15(20)21-13)8-22-5-4-14(18)19/h6-7,17H,1-5,8H2,(H,18,19)