2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]acetic acid IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]acetic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)O

InChI

InChI=1S/C13H12O4S/c1-8-2-3-10-9(6-18-7-12(14)15)5-13(16)17-11(10)4-8/h2-5H,6-7H2,1H3,(H,14,15)