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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 56 results

Search term: C27H44 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83804

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
C27H44368.638342591082
10197959

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H44/c1-23(2)13-8-15-25(4)21(23)12-16-27(6)22(25)11-10-20-19-9-7-14-24(19,3)17-18-26(20,27)5/h21-22H,7-18H2,1-6H3/t21-,22+,24-,25-,26+,27+/m0/s1
C27H44368.6383141200
96735

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,11,19-20,22-25H,8-10,12-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
C27H44368.63831114233
454470

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,11,19-20,22-25H,8-10,12-18H2,1-5H3
C27H44368.638391200
248227

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H44/c1-18(2)9-8-10-19(3)20-11-12-21-24-22(13-16-25(20,21)4)26(5)14-6-7-15-27(26)17-23(24)27/h7,15,18-24H,6,8-14,16-17H2,1-5H3
C27H44368.63835300
248239

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11-13,19-20,22-25H,6-10,14-18H2,1-5H3
C27H44368.63835300
248257

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,19-20,23-24H,6-10,12-18H2,1-5H3
C27H44368.63835300
28560400

Double-bond stereo
InChI=1/C27H44/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,5,7-8,10H,9,11-27H2,2H3/b7-5+,10-8+
C27H44368.63834300
17346489

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20?,22?,23?,24?,25?,26?,27-/m1/s1
C27H44368.63834200
248226

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H44/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,16,18-24H,6-11,13-15,17H2,1-5H3
C27H44368.63833200
490950

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,14,19-20,22,24-25H,6-10,12-13,15-18H2,1-5H3
C27H44368.63833400
549339

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h13,15,19-21,23,25H,6-12,14,16-18H2,1-5H3
C27H44368.63833400
4593460

Double-bond stereo
InChI=1/C27H44/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h8-12,16,21-23H,6-7,13-15,17-20,24H2,1-5H3/b10-8-,11-9+,16-12+,27-23-
C27H44368.63832700
4593462

Double-bond stereo
InChI=1/C27H44/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h8-12,16,21-23H,6-7,13-15,17-20,24H2,1-5H3/b10-8-,11-9+,16-12-,27-23-
C27H44368.638321000
4593653

Double-bond stereo
InChI=1/C27H44/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h8-12,16,21-23H,6-7,13-15,17-20,24H2,1-5H3/b10-8+,11-9+,16-12-,27-23-
C27H44368.63832200
8936882

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H44/c1-4-6-8-10-12-14-15-16-17-18-20-22-24-26-27(3)25-23-21-19-13-11-9-7-5-2/h1-2,6-9,27H,10-26H2,3H3/b8-6-,9-7-
C27H44368.63832100
18522307

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12-13,19-20,23-25H,6-11,14-18H2,1-5H3/t20-,23-,24+,25+,26+,27-/m1/s1
C27H44368.63832200
22889301

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C27H44/c1-18(2)19(3)9-10-20(4)23-13-14-24-22-12-11-21-8-7-16-26(21,5)25(22)15-17-27(23,24)6/h9-10,12,18-21,23-25H,7-8,11,13-17H2,1-6H3/b10-9+/t19-,20+,21?,23?,24?,25?,26+,27?/m0/s1
C27H44368.63832100
22889362

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C27H44/c1-18-11-14-24(3)16-17-26(5)21(23(24)19(18)2)9-10-22-25(4)13-7-8-20(25)12-15-27(22,26)6/h9,18-20,22-23H,7-8,10-17H2,1-6H3/t18-,19?,20?,22?,23?,24?,25?,26-,27?/m1/s1
C27H44368.63832100
12283655

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h7,11,17,19-20,22-25H,6,8-10,12-16,18H2,1-5H3
C27H44368.63832200
123

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