3-[5-(2-carboxyethyl)-9,9-dimethyl-xanthen-4-yl]propanoic acid

Systemtic Name: 3-[5-(2-carboxyethyl)-9,9-dimethyl-xanthen-4-yl]propanoic acid Openeye Name: 3-[5-(2-carboxyethyl)-9,9-dimethyl-xanthen-4-yl]propanoic acid CAS Name: 3-[5-(2-carboxyethyl)-9,9-dimethyl-4-xanthenyl]propanoic acid IUPAC Name: 3-[5-(2-carboxyethyl)-9,9-dimethylxanthen-4-yl]propanoic acid Traditional Name: 3-[5-(2-carboxyethyl)-9,9-dimethyl-xanthen-4-yl]propionic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)CCC(=O)O)OC3=C1C=CC=C3CCC(=O)O)C

Isomeric SMILES

CC1(C2=C(C(=CC=C2)CCC(=O)O)OC3=C1C=CC=C3CCC(=O)O)C

InChI

InChI=1S/C21H22O5/c1-21(2)15-7-3-5-13(9-11-17(22)23)19(15)26-20-14(10-12-18(24)25)6-4-8-16(20)21/h3-8H,9-12H2,1-2H3,(H,22,23)(H,24,25)