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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
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Found 185 results

Search term: C27H42O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29365551

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,19-21,23-25H,3-10,13-18H2,1-2H3/t21-,23-,24-,25-
C27H42O2398.6212272300
92093

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,26-,27-/m1/s1
C27H42O2398.62122035857
18707918

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-11-15-25(16-12-22)27(28)29-26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h17-23,25H,3-16H2,1-2H3/t21-,22-,23-,25-
C27H42O2398.621215900
152807

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h15-18,21-23,26H,3-14,19-20H2,1-2H3
C27H42O2398.6212141000
4446776

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
C27H42O2398.621180000001101101
34018965

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,19-21,23-25H,3-10,13-18H2,1-2H3/t21-,23-,24?,25?
C27H42O2398.62129800
22871786

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C27H42O2/c1-23(2)12-14-27-15-13-25(4)18(21(27)22(23)29-16-27)6-7-20-24(3)10-9-19(28)17(24)8-11-26(20,25)5/h17-18,20-22H,6-16H2,1-5H3/t17?,18-,20?,21?,22?,24+,25-,26-,27-/m1/s1
C27H42O2398.62128400
14318272

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,19-21,23-25H,3-10,13-18H2,1-2H3
C27H42O2398.62128800
9513447

Double-bond stereo
InChI=1/C27H42O2/c1-7-8-9-10-16-26(28)29-21-19-23(3)14-11-13-22(2)17-18-25-24(4)15-12-20-27(25,5)6/h11,13-14,17-19H,7-10,12,15-16,20-21H2,1-6H3/b14-11+,18-17+,22-13+,23-19+
C27H42O2398.62127700
509838

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23H,6-14,16H2,1-5H3
C27H42O2398.621271000
2286486

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-11-15-25(16-12-22)27(28)29-26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h17-23,25H,3-16H2,1-2H3
C27H42O2398.621187700
4943491

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H42O2/c1-18(6-4-7-20-9-10-20)24-13-14-25-21(8-5-15-27(24,25)3)11-12-22-16-23(28)17-26(29)19(22)2/h11-12,18,20,23-26,28-29H,2,4-10,13-17H2,1,3H3/b21-11+,22-12-/t18-,23+,24?,25+,26-,27-/m1/s1
C27H42O2398.62126500
9386762

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O2/c1-17(2)5-10-25-18(3)22-8-9-24-21-7-6-19-15-20(28)11-13-26(19,4)23(21)12-14-27(22,24)16-29-25/h6,17,20-24,28H,5,7-16H2,1-4H3/t20-,21+,22+,23-,24-,26-,27-/m0/s1
C27H42O2398.62126500
19991973

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H42O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h15-18,21-23,26H,3-14,19-20H2,1-2H3/t21-,22-,23-,26-
C27H42O2398.62126600
27025783

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
C27H42O2398.62125600
28592679

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H42O2/c1-3-5-7-9-11-13-19-28-24-17-18-25(29-20-14-12-10-8-6-4-2)27-23-16-15-22(21-23)26(24)27/h15-18,22-23H,3-14,19-21H2,1-2H3
C27H42O2398.62125400
10282432

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h7,9,11,17,20,23-26,28-29H,6,8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
C27H42O2398.62125500
8245017

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H42O2/c1-4-5-6-7-8-9-10-19-17-21-22-11-12-25(29)27(22,3)16-14-23(21)26(2)15-13-20(28)18-24(19)26/h18-19,21-23H,4-17H2,1-3H3/t19-,21+,22+,23+,26-,27+/m1/s1
C27H42O2398.62125400
8516298

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H42O2/c1-4-5-6-7-8-9-10-19-17-21-22-11-12-25(29)27(22,3)16-14-23(21)26(2)15-13-20(28)18-24(19)26/h18-19,21-23H,4-17H2,1-3H3/t19-,21-,22-,23-,26+,27-/m0/s1
C27H42O2398.62125400
8986222

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O2/c1-17(2)14-21(29)15-18(3)23-8-9-24-22-7-6-19-16-20(28)10-12-26(19,4)25(22)11-13-27(23,24)5/h6,14,18,20,22-25,28H,7-13,15-16H2,1-5H3/t18-,20+,22+,23-,24+,25+,26+,27-/m1/s1
C27H42O2398.62124300
12345

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