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 13 results

Search term: PWTCIBWRMQFJBC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4471569

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
C20H27NO4S377.4977273700
4948313

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1+
C20H27NO4S377.49776800
5289684

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-
C20H27NO4S377.497683300
5293401

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18-,20-/m0/s1
C20H27NO4S377.497683700
23149206

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
C20H27NO4S377.49773300
23168523

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20+/m1/s1
C20H27NO4S377.49772200
25060483

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15?,16-,18+,20-/m0/s1
C20H27NO4S377.49772200
25061378

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15?,16-,18+,20+/m0/s1
C20H27NO4S377.49772200
7975650

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18-,20-/m0/s1
C20H27NO4S377.49772100
23108613

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15?,16-,18-,20-/m0/s1
C20H27NO4S377.49772200
17251793

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16-,18-,20-/m0/s1
C20H27NO4S377.49771100
34986130

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m0/s1
C20H27NO4S377.49771100
24995674

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)
C20H27NO4S377.49771100

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