Matches any text strings used to describe a molecule.
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 16 results

Search term: IYGXEHDCSOYNKY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445570

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
C24H45NO8475.6166675360
21467095

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18+,19+;/m0./s1
C24H45NO8475.616181800
4531257

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
C24H45NO8475.616121300
58178853

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12u;/t15-,16+,17+,18-,19+;/m0./s1
C24H45NO8475.6169800
24958627

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2
C24H45NO8475.6164300
27471481

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12+;/t15-,16+,17+,18-,19+;/m1./s1
C24H45NO8475.6164300
88297484

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12-;/t15-,16+,17+,18-,19+;/m0./s1
C24H45NO8475.6162100
114391287

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12+;/t15-,16+,17-,18-,19-;/m0./s1
C24H45NO8475.6161100
114815602

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12u;/t15-,16-,17+,18-,19+;/m0./s1
C24H45NO8475.6161100
8045246

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16-,17?,18+,19-;/m1./s1
C24H45NO8475.6161100
78429920

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/t15-,16-,17+,18-,19+;/m0./s1
C24H45NO8475.6161100
78430859

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4u,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
C24H45NO8475.6161100
78431002

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15?,16-,17?,18?,19?;/m1./s1
C24H45NO8475.6161100
78433591

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/t15-,16+,17+,18-,19+;/m0./s1
C24H45NO8475.6161100

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