3-[3-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-9-oxidanylidene-xanthen-4-yl]propanoic acid

Systemtic Name: 3-[3-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-9-oxidanylidene-xanthen-4-yl]propanoic acid Openeye Name: 3-[3-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-9-oxo-xanthen-4-yl]propanoic acid CAS Name: 3-[3-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-9-oxo-4-xanthenyl]propanoic acid IUPAC Name: 3-[3-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-9-oxoxanthen-4-yl]propanoic acid Traditional Name: 3-[3-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-9-keto-xanthen-4-yl]propionic acid Formula: C33H30O7 MolecularWeight: 538.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5O4)CCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5O4)CCC(=O)O

InChI

InChI=1S/C33H30O7/c1-2-21-19-26(22-9-4-3-5-10-22)27(34)20-30(21)39-18-8-17-38-28-15-13-25-32(37)23-11-6-7-12-29(23)40-33(25)24(28)14-16-31(35)36/h3-7,9-13,15,19-20,34H,2,8,14,16-18H2,1H3,(H,35,36)