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 18 results

Search term: VDYLVWGBLQNNAW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10047529

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/t15-,16-,17-,18-,20-,21-/m0/s1
C21H31NO4361.4751171600
9454904

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16-,17-,18-,20-,21-/m0/s1
C21H31NO4361.4751141100
18504897

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14-/t15-,16-,17-,18-,20-,21-/m0/s1
C21H31NO4361.4751122800
17461845

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14-/t15?,16?,17?,18?,20-,21-/m0/s1
C21H31NO4361.47515100
10047527

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/t15-,16-,17+,18-,20-,21-/m0/s1
C21H31NO4361.47512100
2513411

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)
C21H31NO4361.47512100
7837324

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16?,17?,18-,20-,21-/m1/s1
C21H31NO4361.47512300
10047523

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/t15-,16+,17-,18+,20+,21+/m1/s1
C21H31NO4361.47512100
10047525

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/t15-,16+,17+,18+,20+,21+/m1/s1
C21H31NO4361.47512100
10047526

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/p-1/t15-,16-,17+,18-,20-,21-/m0/s1
C21H30NO4360.46771100
10047524

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/p-1/t15-,16+,17+,18+,20+,21+/m1/s1
C21H30NO4360.46771100
10047522

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/p-1/t15-,16+,17-,18+,20+,21+/m1/s1
C21H30NO4360.46771100
10047528

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/p-1/t15-,16-,17-,18-,20-,21-/m0/s1
C21H30NO4360.46771100
58842582

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16+,17+,18-,20-,21-/m1/s1
C21H31NO4361.47511200
78430448

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16-,17-,18-,20-,21-/m1/s1
C21H31NO4361.47511100
78430724

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16-,17-,18-,20-,21+/m0/s1
C21H31NO4361.47511100
114813079

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/t15-,16+,17-,18+,20-,21-/m0/s1
C21H31NO4361.47511100

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