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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 33 results

Search term: CLEXYFLHGFJONT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9694

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
C27H39NO3425.603577854461
192833

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3
C27H39NO3425.6035264100
29422703

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20?,21+,23+,24-,26-,27-/m0/s1
C27H39NO3425.60356600
29814031

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23?,24-,26-,27-/m0/s1
C27H39NO3425.60355400
4805030

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16?,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
C27H39NO3425.60354300
4937695

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14?,16?,18-,19?,20?,21?,23?,24?,26?,27?/m0/s1
C27H39NO3425.60353400
68897917

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m1/s1
C27H39NO3425.60353100
979259

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16-,18+,19+,20-,21-,23-,24-,26+,27+/m1/s1
C27H39NO3425.60352100
1102652

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19+,20+,21-,23+,24-,26-,27-/m1/s1
C27H39NO3425.60352100
5145716

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16-,18-,19-,20-,21+,23+,24-,26-,27+/m0/s1
C27H39NO3425.60352100
8495684

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14?,16-,18?,19+,20?,21-,23-,24+,26?,27+/m1/s1
C27H39NO3425.60352100
10065563

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20+,21-,23+,24-,26+,27-/m1/s1
C27H39NO3425.60352100
10065565

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16-,18+,19+,20-,21+,23-,24+,26-,27+/m0/s1
C27H39NO3425.60352100
10065567

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20+,21+,23+,24-,26+,27-/m1/s1
C27H39NO3425.60352100
10065569

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16-,18+,19+,20-,21-,23-,24+,26-,27+/m0/s1
C27H39NO3425.60352100
26334334

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16-,18-,19+,20-,21-,23-,24-,26-,27+/m0/s1
C27H39NO3425.60352200
65014392

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19?,20-,21+,23+,24-,26-,27-/m0/s1
C27H39NO3425.60352100
114391549

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16-,18+,19+,20+,21+,23-,24+,26+,27-/m1/s1
C27H39NO3425.60351100
114544948

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19?,20-,21+,23+,24-,26-,27-/m1/s1
C27H39NO3425.60351100
114814915

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23-,24-,26+,27-/m0/s1
C27H39NO3425.60351100
12

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