2-[(2R,5R)-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate; 2-oxidanylbenzoate

Systemtic Name: 2-[(2R,5R)-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate; 2-oxidanylbenzoate Openeye Name: 2-hydroxybenzoate; 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoate; 2-hydroxybenzoic acid 2-[[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[[(2S)-1-methyl-2-pyrrolidin-1-iumyl]-oxomethyl]amino]propyl]-2-oxanyl]thio]ethyl ester IUPAC Name: 2-hydroxybenzoate; 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid 2-[[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]thio]ethyl ester; salicylate Formula: C31H42N2O12S MolecularWeight: 666.73638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1C(C(C(C(O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)C3CCC[NH+]3C)OC.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CC(C(C1[C@@H](C(C([C@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCC[NH+]3C)OC.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C24H36N2O9S.C7H6O3/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27;8-6-4-2-1-3-5(6)7(9)10/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31);1-4,8H,(H,9,10)/t13?,15-,17?,18?,19+,20?,21?,24+;/m0./s1