5-[2,5-bis(oxidanylidene)cyclopentyl]oxycarbonyl-2-(2,7-diethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[2,5-bis(oxidanylidene)cyclopentyl]oxycarbonyl-2-(2,7-diethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(2,7-diethyl-3-hydroxy-6-oxo-xanthen-9-yl)-5-(2,5-dioxocyclopentoxy)carbonyl-benzoic acid CAS Name: 2-(2,7-diethyl-3-hydroxy-6-oxo-9-xanthenyl)-5-[(2,5-dioxocyclopentyl)oxy-oxomethyl]benzoic acid IUPAC Name: 2-(2,7-diethyl-3-hydroxy-6-oxoxanthen-9-yl)-5-(2,5-dioxocyclopentyl)oxycarbonylbenzoic acid Traditional Name: 2-(2,7-diethyl-3-hydroxy-6-keto-xanthen-9-yl)-5-(2,5-diketocyclopentoxy)carbonyl-benzoic acid Formula: C30H24O9 MolecularWeight: 528.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)CC)C4=C(C=C(C=C4)C(=O)OC5C(=O)CCC5=O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)CC)C4=C(C=C(C=C4)C(=O)OC5C(=O)CCC5=O)C(=O)O

InChI

InChI=1S/C30H24O9/c1-3-14-9-19-25(12-23(14)33)38-26-13-24(34)15(4-2)10-20(26)27(19)17-6-5-16(11-18(17)29(35)36)30(37)39-28-21(31)7-8-22(28)32/h5-6,9-13,28,33H,3-4,7-8H2,1-2H3,(H,35,36)