3-[(6-oxidanyl-3-oxidanylidene-7,8,9,10-tetrahydrobenzo[f]chromen-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-oxidanyl-3-oxidanylidene-7,8,9,10-tetrahydrobenzo[f]chromen-1-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(6-hydroxy-3-oxo-7,8,9,10-tetrahydrobenzo[f]chromen-1-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-hydroxy-3-oxo-7,8,9,10-tetrahydrobenzo[f][1]benzopyran-1-yl)methylthio]propanoic acid IUPAC Name: 3-[(6-hydroxy-3-oxo-7,8,9,10-tetrahydrobenzo[f]chromen-1-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(6-hydroxy-3-keto-7,8,9,10-tetrahydrobenzo[f]chromen-1-yl)methylthio]propionic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C3C(=CC(=O)OC3=CC(=C2C1)O)CSCCC(=O)O

Isomeric SMILES

C1CCC2=C3C(=CC(=O)OC3=CC(=C2C1)O)CSCCC(=O)O

InChI

InChI=1S/C17H18O5S/c18-13-8-14-17(12-4-2-1-3-11(12)13)10(7-16(21)22-14)9-23-6-5-15(19)20/h7-8,18H,1-6,9H2,(H,19,20)