lithium 3-[[7-(1-oxidanylnonyl)naphthalen-2-yl]methylsulfanyl]benzoate

Systemtic Name: lithium 3-[[7-(1-oxidanylnonyl)naphthalen-2-yl]methylsulfanyl]benzoate Openeye Name: lithium 3-[[7-(1-hydroxynonyl)-2-naphthyl]methylsulfanyl]benzoate CAS Name: lithium 3-[[7-(1-hydroxynonyl)-2-naphthalenyl]methylthio]benzoate IUPAC Name: lithium 3-[[7-(1-hydroxynonyl)naphthalen-2-yl]methylsulfanyl]benzoate Traditional Name: lithium 3-[[7-(1-hydroxynonyl)-2-naphthyl]methylthio]benzoate Formula: C27H31LiO3S MolecularWeight: 442.53924

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCC(C1=CC2=C(C=CC(=C2)CSC3=CC=CC(=C3)C(=O)[O-])C=C1)O

Isomeric SMILES

[Li+].CCCCCCCCC(C1=CC2=C(C=CC(=C2)CSC3=CC=CC(=C3)C(=O)[O-])C=C1)O

InChI

InChI=1S/C27H32O3S.Li/c1-2-3-4-5-6-7-11-26(28)22-15-14-21-13-12-20(16-24(21)17-22)19-31-25-10-8-9-23(18-25)27(29)30;/h8-10,12-18,26,28H,2-7,11,19H2,1H3,(H,29,30);/q;+1/p-1