3-(3,6-diacetyloxy-9-ethoxy-xanthen-9-yl)propanoic acid

Systemtic Name: 3-(3,6-diacetyloxy-9-ethoxy-xanthen-9-yl)propanoic acid Openeye Name: 3-(3,6-diacetoxy-9-ethoxy-xanthen-9-yl)propanoic acid CAS Name: 3-(3,6-diacetyloxy-9-ethoxy-9-xanthenyl)propanoic acid IUPAC Name: 3-(3,6-diacetyloxy-9-ethoxyxanthen-9-yl)propanoic acid Traditional Name: 3-(3,6-diacetoxy-9-ethoxy-xanthen-9-yl)propionic acid Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=C(C=C(C=C2)OC(=O)C)OC3=C1C=CC(=C3)OC(=O)C)CCC(=O)O

Isomeric SMILES

CCOC1(C2=C(C=C(C=C2)OC(=O)C)OC3=C1C=CC(=C3)OC(=O)C)CCC(=O)O

InChI

InChI=1S/C22H22O8/c1-4-27-22(10-9-21(25)26)17-7-5-15(28-13(2)23)11-19(17)30-20-12-16(29-14(3)24)6-8-18(20)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,25,26)