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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 40 results

Search term: DNTHHIVFNQZZRD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10468605

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+
C33H25N3O3511.56991335293
2273475

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26-
C33H25N3O3511.5699101000
13217

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)
C33H25N3O3511.56998603
32817616

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26-/t22-,28?,29+,30?,33?/m0/s1
C33H25N3O3511.56995400
34991803

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28-,29+,30-,33-/m1/s1
C33H25N3O3511.56991100
34991804

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29+,30-,33+/m0/s1
C33H25N3O3511.56991100
34991805

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29-,30-,33+/m1/s1
C33H25N3O3511.56991100
34991806

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29+,30-,33+/m1/s1
C33H25N3O3511.56991100
34991807

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28-,29+,30-,33+/m0/s1
C33H25N3O3511.56991100
34991808

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28-,29+,30-,33+/m1/s1
C33H25N3O3511.56991100
34991809

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29-,30-,33+/m0/s1
C33H25N3O3511.56991100
34991810

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28-,29-,30-,33-/m1/s1
C33H25N3O3511.56991100
34991811

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28-,29-,30-,33-/m0/s1
C33H25N3O3511.56991100
34991812

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29-,30-,33-/m1/s1
C33H25N3O3511.56991100
34991813

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29-,30-,33-/m0/s1
C33H25N3O3511.56991100
34991814

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28+,29+,30+,33-/m0/s1
C33H25N3O3511.56991100
78433780

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/t22-,28?,29+,30?,33?/m0/s1
C33H25N3O3511.56991100
21251747

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28-,29?,30?,33?/m0/s1
C33H25N3O3511.56991100
21251748

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26-/t22-,28+,29?,30?,33?/m0/s1
C33H25N3O3511.56991100
29738623

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+/t22-,28?,29+,30?,33?/m0/s1
C33H25N3O3511.56991100
12

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