5-(2-carboxyethyl)-6-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-6-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-5-(2-carboxyethyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-5-(2-carboxyethyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-5-(2-carboxyethyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-5-(2-carboxyethyl)-9-keto-xanthene-2-carboxylic acid Formula: C30H28O10 MolecularWeight: 548.53732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O

InChI

InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)