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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: COO (Found by synonym)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14103
InChI=1/Co.O/rCoO/c1-2
CoO74.9326405900
4577799

Double-bond stereo
InChI=1/C8H13NO2S/c1-3-4-8(11)12-6-5-9-7(2)10/h3-4H,5-6H2,1-2H3,(H,9,10)/b4-3+
C8H13NO2S187.2593111400
25030709

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20-,24-/m1/s1
C25H40N7O17P3S835.60814600
7826919

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C14H24N5O13P3/c1-7(2)3-28-34(24,25)32-35(26,27)29-4-8-11(31-33(21,22)23)10(20)14(30-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H2,15,16,17)(H2,21,22,23)/t8-,10-,11-,14-/m1/s1
C14H24N5O13P3563.28733400
61709397

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4-/t14-,18-,19-,20-,24-/m1/s1
C25H40N7O17P3S835.60812200
61710905

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H28N2O11P2S/c1-4-5-12(19)31-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-27-30(25,26)28-29(22,23)24/h4-5,13,20H,6-10H2,1-3H3,(H,16,18)(H,17,21)(H,25,26)(H2,22,23,24)/b5-4+/t13-/m0/s1
C15H28N2O11P2S506.40212200
61712545

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H28N2O11P2S/c1-4-5-12(19)31-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-27-30(25,26)28-29(22,23)24/h4-5,13,20H,6-10H2,1-3H3,(H,16,18)(H,17,21)(H,25,26)(H2,22,23,24)/b5-4+/t13-/m1/s1
C15H28N2O11P2S506.40212200

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