methyl-[1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: methyl-[1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [1-ethyl-3-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanyl-propyl]-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; methyl-[1-[[2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propyl]thio]pentan-3-yl]ammonium IUPAC Name: 2-hydroxy-2-oxoacetate; methyl-[1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-yl]azanium Traditional Name: [1-ethyl-3-[[2-(1-naphthylmethyl)-3-(tetrahydrofuryl)propyl]thio]propyl]-methyl-ammonium binoxalate Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32)[NH2+]C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC(CCSCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32)[NH2+]C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H35NOS.C2H2O4/c1-3-22(25-2)13-15-27-18-19(17-23-11-7-14-26-23)16-21-10-6-9-20-8-4-5-12-24(20)21;3-1(4)2(5)6/h4-6,8-10,12,19,22-23,25H,3,7,11,13-18H2,1-2H3;(H,3,4)(H,5,6)