2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]acetate CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]acetate IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]acetate Formula: C14H13O4S- MolecularWeight: 277.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)[O-])C

InChI

InChI=1S/C14H14O4S/c1-8-3-11-10(6-19-7-13(15)16)5-14(17)18-12(11)4-9(8)2/h3-5H,6-7H2,1-2H3,(H,15,16)/p-1