| Properties | Image |
MNX_ID | MNXM161691 |
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reference | keggD:D06177 |
formula | C12H17N2NaO3S |
global charge | 0 |
mol weight | 292.336 |
InChIKey | QKHDBRQBSNZFAK-UHFFFAOYSA-M |
InChI | InChI=1S/C12H18N2O3S.Na/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);/q;+1/p-1 |
SMILES | CCCCNC(=O)[N-]S(=O)(=O)C1=CC=C(C)C=C1.[Na+] |
MNX internals
InChI (mnx) | InChI=1/C12H18N2O3S.Na/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);/q;+1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:9][N:13]=[C:12]([NH:14][S:18]([C:11]1=[CH:8][CH:6]=[C:10]([CH3:2])[CH:5]=[CH:7]1)(=[O:16])=[O:17])[OH:15].[Na+:19] |
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