4-[3,6-bis(2-methylpropanoyloxy)-9H-xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3,6-bis(2-methylpropanoyloxy)-9H-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3,6-bis(2-methylpropanoyloxy)-9H-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 4-[3,6-bis(2-methyl-1-oxopropoxy)-9H-xanthen-9-yl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3,6-bis(2-methylpropanoyloxy)-9H-xanthen-9-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-(3,6-diisobutyryloxy-9H-xanthen-9-yl)isophthalic acid Formula: C29H26O9 MolecularWeight: 518.51134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C(C)C)C4=C(C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C(C)C)C4=C(C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H26O9/c1-14(2)28(34)36-17-6-9-20-23(12-17)38-24-13-18(37-29(35)15(3)4)7-10-21(24)25(20)19-8-5-16(26(30)31)11-22(19)27(32)33/h5-15,25H,1-4H3,(H,30,31)(H,32,33)