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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
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Found 10 results

Search term: GWYPHKYSRIAIBU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10271233

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17-,24-18+,25-19+/t27?,31-,32+,34+/m0/s1
C34H37NO6555.660776610
28493977

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17-,24-18+,25-19+/t27?,31?,32-,34-/m1/s1
C34H37NO6555.660682200
64854619

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17+,24-18+,25-19+/t27?,31-,32+,34+/m0/s1
C34H37NO6555.66072300
78438648

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8?,16-9-,23-17-,24-18-,25-19+/t27?,31-,32+,34+/m0/s1
C34H37NO6555.66071100
79715608

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4-,10-6-,11-7-,13-8-,16-9-,23-17-,24-18-,25-19-/t27-,31-,32-,34-/m0/s1
C34H37NO6555.66071100
123962551

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4-,10-6-,11-7-,13-8-,16-9-,23-17-,24-18-,25-19-/t27?,31-,32+,34+/m0/s1
C34H37NO6555.66071100
58827946

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6?,11-7+,13-8?,16-9-,23-17-,24-18?,25-19+/t27?,31-,32+,34+/m0/s1
C34H37NO6555.66071100
58842757

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17-,24-18+,25-19+/t27?,31-,32-,34-/m1/s1
C34H37NO6555.66071100
21257947

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6+,11-7+,13-8+,16-9-,23-17+,24-18+,25-19+
C34H37NO6555.66071100

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