3-[(6-oxidanyl-3-oxidanylidene-5-prop-2-enyl-benzo[f]chromen-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-oxidanyl-3-oxidanylidene-5-prop-2-enyl-benzo[f]chromen-1-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-allyl-6-hydroxy-3-oxo-benzo[f]chromen-1-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-hydroxy-3-oxo-5-prop-2-enyl-1-benzo[f][1]benzopyranyl)methylthio]propanoic acid IUPAC Name: 3-[(6-hydroxy-3-oxo-5-prop-2-enylbenzo[f]chromen-1-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-allyl-6-hydroxy-3-keto-benzo[f]chromen-1-yl)methylthio]propionic acid Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C2=CC=CC=C2C3=C1OC(=O)C=C3CSCCC(=O)O)O

Isomeric SMILES

C=CCC1=C(C2=CC=CC=C2C3=C1OC(=O)C=C3CSCCC(=O)O)O

InChI

InChI=1S/C20H18O5S/c1-2-5-15-19(24)14-7-4-3-6-13(14)18-12(10-17(23)25-20(15)18)11-26-9-8-16(21)22/h2-4,6-7,10,24H,1,5,8-9,11H2,(H,21,22)