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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 23 results

Search term: FCEVNJIUIMLVML (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445064

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1
C18H23NO5333.3789557000
10309259

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-/m1/s1
C18H23NO5333.3789101300
21511627

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+
C18H23NO5333.378971200
454657

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3
C18H23NO5333.37897800
9781

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-/m1/s1
C18H23NO5333.37895900
21269936

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18+/m1/s1
C18H23NO5333.37895500
792715

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m0/s1
C18H23NO5333.37893500
5028033

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15+,18-/m1/s1
C18H23NO5333.37893500
16093177

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-
C18H23NO5333.378935100
16739575

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18+/m1/s1
C18H23NO5333.37893500
1136281

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15+,18+/m1/s1
C18H23NO5333.37892400
4479051

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15?,18?/m1/s1
C18H23NO5333.37892200
4479058

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15?,18-/m1/s1
C18H23NO5333.37892200
4942725

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18+/m1/s1
C18H23NO5333.37892200
5422637

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/p+1/t14-,15-,18-/m1/s1
C18H24NO5334.38631200
21242829

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15?,18-/m1/s1
C18H23NO5333.37891100
13183593

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15?,18?/m1/s1
C18H23NO5333.37891100
30772502

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15?,18+/m0/s1
C18H23NO5333.37891100
58784088

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-/m1/s1/i3D3
C18H20D3NO5336.39741100
95532332

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14?,15-,18-/m1/s1
C18H23NO5333.37891100
12

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