sodium 2-[4-[bis(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[4-[bis(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]ethanoate Openeye Name: sodium 2-[4-[bis(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]acetate CAS Name: sodium 2-[4-[bis(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)methyl]phenoxy]acetate IUPAC Name: sodium 2-[4-[bis(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]acetate Traditional Name: sodium 2-[4-[bis(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]acetate Formula: C29H29NaO7 MolecularWeight: 512.52613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)[O-])C3=C(C(=O)C=C(C=C3)C(C)C)O)O.[Na+]

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)[O-])C3=C(C(=O)C=C(C=C3)C(C)C)O)O.[Na+]

InChI

InChI=1S/C29H30O7.Na/c1-16(2)19-7-11-22(28(34)24(30)13-19)27(18-5-9-21(10-6-18)36-15-26(32)33)23-12-8-20(17(3)4)14-25(31)29(23)35;/h5-14,16-17,27H,15H2,1-4H3,(H,30,34)(H,31,35)(H,32,33);/q;+1/p-1