(2S)-2-(5-methyl-9-oxidanylidene-xanthen-4-yl)propanoic acid

Systemtic Name: (2S)-2-(5-methyl-9-oxidanylidene-xanthen-4-yl)propanoic acid Openeye Name: (2S)-2-(5-methyl-9-oxo-xanthen-4-yl)propanoic acid CAS Name: (2S)-2-(5-methyl-9-oxo-4-xanthenyl)propanoic acid IUPAC Name: (2S)-2-(5-methyl-9-oxoxanthen-4-yl)propanoic acid Traditional Name: (2S)-2-(9-keto-5-methyl-xanthen-4-yl)propionic acid Formula: C17H14O4 MolecularWeight: 282.29066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C2=O)C=CC=C3C(C)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C2=O)C=CC=C3[C@H](C)C(=O)O

InChI

InChI=1S/C17H14O4/c1-9-5-3-7-12-14(18)13-8-4-6-11(10(2)17(19)20)16(13)21-15(9)12/h3-8,10H,1-2H3,(H,19,20)/t10-/m0/s1