sodium 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-6-cyclohexyl-hexan-3-yl]oxy-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-6-cyclohexyl-hexan-3-yl]oxy-4-oxidanylidene-butanoate Openeye Name: sodium 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-4-cyclohexyl-butoxy]-4-oxo-butanoate CAS Name: sodium 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-6-cyclohexylhexan-3-yl]oxy-4-oxobutanoate IUPAC Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-6-cyclohexylhexan-3-yl]oxy-4-oxobutanoate Traditional Name: sodium 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-4-cyclohexyl-butoxy]-4-keto-butyrate Formula: C41H50NNaO6 MolecularWeight: 675.82857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCC2CCCCC2)OC(=O)CCC(=O)[O-])NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCC2CCCCC2)OC(=O)CCC(=O)[O-])NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

InChI

InChI=1S/C41H51NO6.Na/c1-41(2,3)34-23-21-29(20-22-30(47-40(46)25-24-39(44)45)15-11-14-28-12-5-4-6-13-28)26-35(34)42-38(43)27-33-31-16-7-9-18-36(31)48-37-19-10-8-17-32(33)37;/h7-10,16-19,21,23,26,28,30,33H,4-6,11-15,20,22,24-25,27H2,1-3H3,(H,42,43)(H,44,45);/q;+1/p-1