sodium 2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-4-(1-cyclohexylpropoxy)-4-oxidanylidene-butanoate

Systemtic Name: sodium 2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-4-(1-cyclohexylpropoxy)-4-oxidanylidene-butanoate Openeye Name: sodium 2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-(1-cyclohexylpropoxy)-4-oxo-butanoate CAS Name: sodium 2-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-4-(1-cyclohexylpropoxy)-4-oxobutanoate IUPAC Name: sodium 2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-(1-cyclohexylpropoxy)-4-oxobutanoate Traditional Name: sodium 2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-(1-cyclohexylpropoxy)-4-keto-butyrate Formula: C38H44NNaO6 MolecularWeight: 633.74883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)OC(=O)CC(C2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C1CCCCC1)OC(=O)CC(C2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)[O-].[Na+]

InChI

InChI=1S/C38H45NO6.Na/c1-5-32(24-13-7-6-8-14-24)45-36(41)23-28(37(42)43)25-19-20-30(38(2,3)4)31(21-25)39-35(40)22-29-26-15-9-11-17-33(26)44-34-18-12-10-16-27(29)34;/h9-12,15-21,24,28-29,32H,5-8,13-14,22-23H2,1-4H3,(H,39,40)(H,42,43);/q;+1/p-1