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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 15 results

Search term: MDGYGSZQYJUTBN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4502851

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+
C27H36O3408.572914600
2154298

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3
C27H36O3408.572943100
59755465

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22+,23-,24-,25-,26-,27-/m0/s1
C27H36O3408.57292100
62532606

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22+,23+,24+,25+,26+,27+/m0/s1
C27H36O3408.57292200
62678078

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22-,23-,24+,25-,26-,27-/m0/s1
C27H36O3408.57292200
10050331

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/t20-,22+,23-,24+,25-,26+,27+/m0/s1
C27H36O3408.57292100
10050332

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/t20-,22+,23-,24+,25-,26-,27+/m0/s1
C27H36O3408.57292100
10050333

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/t20-,22-,23+,24-,25+,26-,27-/m1/s1
C27H36O3408.57292100
10050334

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/t20-,22-,23+,24-,25+,26+,27-/m1/s1
C27H36O3408.57292100
10068840

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22+,23-,24+,25-,26+,27+/m0/s1
C27H36O3408.57292100
10068841

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22+,23-,24+,25-,26-,27+/m0/s1
C27H36O3408.57292100
10068842

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22-,23+,24-,25+,26-,27-/m1/s1
C27H36O3408.57292100
10068843

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22-,23+,24-,25+,26+,27-/m1/s1
C27H36O3408.57292100
12547595

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20?,22?,23?,24?,25?,26-,27-/m0/s1
C27H36O3408.57292100
34433992

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14-
C27H36O3408.57291100

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