4-[3-oxidanyl-6-oxidanylidene-2,7-bis(4-oxidanyl-4-oxidanylidene-butyl)xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3-oxidanyl-6-oxidanylidene-2,7-bis(4-oxidanyl-4-oxidanylidene-butyl)xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3-hydroxy-2,7-bis(4-hydroxy-4-oxo-butyl)-6-oxo-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 4-[3-hydroxy-2,7-bis(4-hydroxy-4-oxobutyl)-6-oxo-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-hydroxy-2,7-bis(4-hydroxy-4-oxobutyl)-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[3-hydroxy-2,7-bis(4-hydroxy-4-keto-butyl)-6-keto-xanthen-9-yl]isophthalic acid Formula: C29H24O11 MolecularWeight: 548.49426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)CCCC(=O)O)O)CCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)CCCC(=O)O)O)CCCC(=O)O

InChI

InChI=1S/C29H24O11/c30-21-12-23-19(9-14(21)3-1-5-25(32)33)27(17-8-7-16(28(36)37)11-18(17)29(38)39)20-10-15(4-2-6-26(34)35)22(31)13-24(20)40-23/h7-13,30H,1-6H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)