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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 28 results

Search term: HKODIGSRFALUTA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10254883

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
C18H25NO5335.39486380019
21250544

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1
C18H25NO5335.3948273700
4444426

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15-,18-/m1/s1
C18H25NO5335.3948101200
24534230

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14+,15+,18+/m0/s1
C18H25NO5335.394892000
223408

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3
C18H25NO5335.39487900
58783653

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1/i3D3
C18H22D3NO5338.41335700
64872636

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m0/s1
C18H25NO5335.39483200
28564173

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+
C18H25NO5335.39483300
4933426

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14+,15?,18+/m1/s1
C18H25NO5335.39483300
4937705

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15-,18-/m0/s1
C18H25NO5335.39482200
8263845

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11?,14?,15-,18?/m1/s1
C18H25NO5335.39482100
4884818

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11?,14-,15-,18-/m1/s1
C18H25NO5335.39482200
16739574

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18+/m1/s1
C18H25NO5335.394821000
95532694

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14?,15-,18-/m1/s1
C18H25NO5335.39481100
113601144

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14+,15+,18+/m1/s1
C18H25NO5335.39481100
113608475

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14+,15-,18-/m1/s1
C18H25NO5335.39481100
113608477

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15+,18+/m0/s1
C18H25NO5335.39481100
128434107

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15+,18-/m1/s1
C18H25NO5335.39481100
58829914

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14-,15?,18-/m1/s1
C18H25NO5335.39481100
58837831

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15?,18-/m1/s1
C18H25NO5335.39481100
12

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