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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 47 results

Search term: C25H44O3 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58121674

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1
C25H44O3392.6151212500
8153445
InChI=1/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(27-2)21-24(28-3)25(22)26/h20-21,26H,4-19H2,1-3H3
C25H44O3392.61517601
2852518

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H44O3/c1-4-7-8-9-10-11-12-13-14-18-21-28-24(23-19-16-15-17-20-23)22-25(26-5-2)27-6-3/h15-17,19-20,24-25H,4-14,18,21-22H2,1-3H3
C25H44O3392.6150600000016400
437149

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(26)22(2)28-25(23)27/h22-24,26H,3-9,12-21H2,1-2H3
C25H44O3392.61514300
8606074

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H44O3/c1-18(8-6-12-24(3,4)28)19(2)25(5)13-7-9-20(17-25)10-11-21-14-22(26)16-23(27)15-21/h10-11,18-19,22-23,26-28H,6-9,12-17H2,1-5H3/b20-10+/t18-,19-,22-,23-,25+/m1/s1
C25H44O3392.61514300
8867278

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H44O3/c1-18(8-6-12-24(3,4)28)19(2)25(5)13-7-9-20(17-25)10-11-21-14-22(26)16-23(27)15-21/h10-11,18-19,22-23,26-28H,6-9,12-17H2,1-5H3/b20-10+/t18-,19-,22+,23+,25-/m0/s1
C25H44O3392.61514300
8914620

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H44O3/c1-18(8-6-12-24(3,4)28)19(2)25(5)13-7-9-20(17-25)10-11-21-14-22(26)16-23(27)15-21/h10-11,18-19,22-23,26-28H,6-9,12-17H2,1-5H3/b20-10+/t18-,19+,22-,23-,25+/m1/s1
C25H44O3392.61514300
74849739
InChI=1/C25H44O3/c1-3-4-15-18-23-21-22(2)24(28-23)19-16-13-11-9-7-5-6-8-10-12-14-17-20-25(26)27/h21H,3-20H2,1-2H3,(H,26,27)
C25H44O3392.61514400
8985852

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H44O3/c1-18(8-6-12-24(3,4)28)19(2)25(5)13-7-9-20(17-25)10-11-21-14-22(26)16-23(27)15-21/h10-11,18-19,22-23,26-28H,6-9,12-17H2,1-5H3/b20-10+/t18-,19+,22+,23+,25-/m0/s1
C25H44O3392.61514300
9113277

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(28)22-23(26)19-20-24(25)27/h3-4,19-20,24,27-28H,2,5-18,21-22H2,1H3/b4-3+/t24-,25+/m0/s1
C25H44O3392.61514300
9308085

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(28)22-23(26)19-20-24(25)27/h3-4,19-20,24,27-28H,2,5-18,21-22H2,1H3/b4-3+/t24-,25-/m0/s1
C25H44O3392.61514300
28591548
InChI=1/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)24-22(27)19-25(2,3)20-23(24)28/h24H,4-20H2,1-3H3
C25H44O3392.61514300
28591591

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-23(27)19-21(2)20-24(25)28/h21,25H,3-20H2,1-2H3
C25H44O3392.61514300
8962042
InChI=1/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(27-2)25(26)24(21-22)28-3/h20-21,26H,4-19H2,1-3H3
C25H44O3392.61513200
8699977
InChI=1/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(26)20-22(27-2)21-25(23)28-3/h20-21,26H,4-19H2,1-3H3
C25H44O3392.61513200
8628574

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H44O3/c1-3-4-5-6-7-11-16-23(24-18-13-10-14-19-24)17-12-8-9-15-20-28-22-25(21-26)27-2/h10,13-14,18-19,23,25-26H,3-9,11-12,15-17,20-22H2,1-2H3
C25H44O3392.61512100
8469415

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C25H44O3/c1-7-23(4,28-19-11-17-27-18-12-19)15-9-21-24(5)14-8-13-22(2,3)20(24)10-16-25(21,6)26/h7,19-21,26H,1,8-18H2,2-6H3/t20?,21-,23?,24+,25?/m1/s1
C25H44O3392.61512100
28673122

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H44O3/c1-3-4-11-19-23-25(28-23)22(21-16-12-10-13-17-21)18-14-8-6-5-7-9-15-20-24(26)27-2/h14,18,21-23,25H,3-13,15-17,19-20H2,1-2H3
C25H44O3392.61512100
28945523

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24(27)21-25(28)20-17-22-15-18-23(26)19-16-22/h15-16,18-19,24-28H,2-14,17,20-21H2,1H3/t24-,25+/m1/s1
C25H44O3392.61512200
9265621

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H44O3/c1-19(18-26)10-8-11-21-24(4)15-9-14-23(2,3)20(24)13-16-25(21,5)28-22-12-6-7-17-27-22/h10,20-22,26H,6-9,11-18H2,1-5H3/b19-10+/t20?,21-,22?,24+,25-/m1/s1
C25H44O3392.61512100
123

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