2,5-bis(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid; sodium

Systemtic Name: 2,5-bis(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid; sodium Openeye Name: 2,5-bis(3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid; sodium CAS Name: 2,5-bis(3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid; sodium IUPAC Name: 2,5-bis(3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid; sodium Traditional Name: 2,5-bis(3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid; sodium Formula: C34H18NaO10 MolecularWeight: 609.49049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O.[Na]

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O.[Na]

InChI

InChI=1S/C34H18O10.Na/c35-15-1-5-19-27(9-15)43-28-10-16(36)2-6-20(28)31(19)23-13-26(34(41)42)24(14-25(23)33(39)40)32-21-7-3-17(37)11-29(21)44-30-12-18(38)4-8-22(30)32;/h1-14,35,37H,(H,39,40)(H,41,42);