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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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Isotopically Labeled
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Found 337 results

Search term: C27H40O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
148552

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
C27H40O4428.6041971101905
8086125

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
C27H40O4428.6041434500
3527

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3
C27H40O4428.6041142100
4802984
InChI=1/C27H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)24-20-22-18-19-23(28)21-26(22)31-27(24)30/h18-21,28H,2-17H2,1H3
C27H40O4428.6041141100
92426

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H40O4/c1-26-14-12-20(28)16-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)31-25(29)30-17-18-6-4-3-5-7-18/h16,18,21-24H,3-15,17H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1
C27H40O4428.6041131200
9514329

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25-,27+/m0/s1
C27H40O4428.6041131300
10272825

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
C27H40O4428.6041131100
9376272

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H40O4/c1-5-6-7-8-25(30)31-24-16-19(29)15-18-9-10-20-22-12-11-21(17(2)28)26(22,3)14-13-23(20)27(18,24)4/h15,20-24H,5-14,16H2,1-4H3/t20-,21+,22-,23-,24?,26+,27-/m0/s1
C27H40O4428.6041116300
62959982

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H40O4/c1-24(2)20-8-7-19-18(25(20,3)12-11-21(24)28)10-14-26(4)17(9-13-27(19,26)5)16-15-22(29)31-23(16)30-6/h7,16-18,20,23H,8-15H2,1-6H3/t16-,17-,18-,20-,23+,25+,26-,27+/m0/s1
C27H40O4428.6041111300
9422430

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25+,27-/m1/s1
C27H40O4428.6041101100
2281403

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H40O4/c1-16(28)30-23-21-17(22(29)31-23)8-9-19-26(5)14-10-18-24(2,3)12-7-13-25(18,4)20(26)11-15-27(19,21)6/h8,18-21,23H,7,9-15H2,1-6H3/t18-,19-,20+,21+,23+,25-,26-,27-/m0/s1
C27H40O4428.604110900
1266006

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27-/m1/s1
C27H40O4428.604195500
4642453

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21?,22?,23?,25-,26-,27-/m0/s1
C27H40O4428.60419600
17461900

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C27H40O4/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23-27(31-23)15-19(30-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-23H,5-15H2,1-4H3/t18-,19-,20+,21?,22?,23-,24-,25+,26-,27-/m0/s1
C27H40O4428.60419500
17467062

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15-,16+,17+,18+,19-,21?,22+,24+,25+,26-,27-/m1/s1
C27H40O4428.60419500
2361046

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H40O4/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23-27(31-23)15-19(30-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-23H,5-15H2,1-4H3
C27H40O4428.60418400
553040

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H40O4/c1-16(28)31-23-22-17(9-13-30-22)18(29)14-20-26(5)12-8-19-24(2,3)10-7-11-25(19,4)21(26)15-27(20,23)6/h9,13,18-21,23,29H,7-8,10-12,14-15H2,1-6H3/t18-,19-,20-,21+,23+,25-,26-,27-/m0/s1
C27H40O4428.60418713
32033914

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1
C27H40O4428.60417700
58791201

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-22(31-27)13-20-23-19(7-9-26(20,24)4)25(3)8-6-18(28)11-17(25)12-21(23)29/h12,15-16,18-20,22-24,28H,5-11,13-14H2,1-4H3/t15-,16+,18+,19+,20+,22+,23-,24+,25+,26+,27+/m1/s1
C27H40O4428.60417600
8821566

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O4/c1-16(2)23-8-7-22(24(29)31-23)27(30)14-11-21-19-6-5-17-15-18(28)9-12-25(17,3)20(19)10-13-26(21,27)4/h9,12,15-16,19-24,29-30H,5-8,10-11,13-14H2,1-4H3/t19-,20+,21+,22+,23-,24-,25+,26+,27+/m1/s1
C27H40O4428.60417600
12345

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