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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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Single/Multi-component
Isotopically Labeled
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Found 35 results

Search term: C28H31N (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32779425
InChI=1/C28H31N/c1-2-3-4-5-6-7-8-9-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(22-29)13-17-26/h10-21H,2-9H2,1H3
C28H31N381.5524171500
11087901
InChI=1/C28H31N/c1-2-7-15-22(14-6-1)26-25-20-12-13-21-29(25)28(24-18-8-3-4-9-19-24)27(26)23-16-10-5-11-17-23/h5,10-14,16-18,20-21H,1-4,6-9,15,19H2
C28H31N381.55248600
8266794
InChI=1/C28H31N/c1-4-12-24(13-5-1)14-10-11-21-29-22-19-27(20-23-29)28(25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,12-13,15-18H,10-11,14,19-23H2
C28H31N381.55245400
8424780

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N/c1-23(22-25-17-13-16-24-15-10-11-20-27(24)25)14-7-6-12-21-28(2,3)29(4)26-18-8-5-9-19-26/h5-11,13,15-20,23H,14,22H2,1-4H3/b7-6+
C28H31N381.55244300
234774
InChI=1/C28H31N/c1-20-24-19-23(27(2,3)21-13-9-7-10-14-21)17-18-25(24)29(6)26(20)28(4,5)22-15-11-8-12-16-22/h7-19H,1-6H3
C28H31N381.55244300
2841315
InChI=1/C28H31N/c1-29(21-9-13-23-11-3-2-4-12-23)22-10-18-28-26-16-7-5-14-24(26)19-20-25-15-6-8-17-27(25)28/h2-8,11-12,14-18H,9-10,13,19-22H2,1H3
C28H31N381.552443200
4957006
InChI=1/C10H12.C10H10.C8H9N/c2*1-3-9-7-5-6-8-10(9)4-2;1-3-8-5-4-7(2)9-6-8/h3,5-8H,1,4H2,2H3;3-8H,1-2H2;3-6H,1H2,2H3
C28H31N381.55243300
8747304

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N/c1-6-27(25-14-8-11-21(3)17-25)26-18-22(4)28(23(5)19-26)29-15-9-13-24-12-7-10-20(2)16-24/h6-14,16-19,27,29H,1,15H2,2-5H3/b13-9+
C28H31N381.55243200
57510593
InChI=1/C28H31N/c1-2-3-4-5-6-7-23-14-18-27(19-15-23)28-20-16-25(17-21-28)9-8-24-10-12-26(22-29)13-11-24/h10-21H,2-9H2,1H3
C28H31N381.55243300
28496226

Double-bond stereo
InChI=1/C28H31N/c1-23(26-12-14-28(15-13-26)27-10-6-3-7-11-27)16-19-29-20-17-25(18-21-29)22-24-8-4-2-5-9-24/h2-16,25H,17-22H2,1H3/b23-16+
C28H31N381.55243300
31124575

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H31N/c1-29-26-17-18-27(29)20-22(19-26)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,22,26-27H,17-21H2,1H3/t22-,26+,27-
C28H31N381.55242200
57585040

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N/c1-3-27(4-2)28(21-20-24-14-8-5-9-15-24)29(22-25-16-10-6-11-17-25)23-26-18-12-7-13-19-26/h5-19,27-28H,3-4,22-23H2,1-2H3
C28H31N381.55242100
8937743

Double-bond stereo
InChI=1/C28H31N/c1-18-22-10-8-14-25(18)27-20(3)29(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-16-22)19(26)2/h8-11,14-17,24H,5-7,12-13H2,1-4H3/b17-16+
C28H31N381.55242100
9222347

Double-bond stereo
InChI=1/C28H31N/c1-22(2)28(23(3)4,29-21-24-14-8-5-9-15-24)20-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-23H,1-4H3/b29-21+
C28H31N381.55242100
24627197

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H31N/c1-29-26-17-18-27(29)20-22(19-26)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,22,26-27H,17-21H2,1H3/t26-,27-/m1/s1
C28H31N381.55242200
24655886

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25-,26+,27?,28?/m1/s1
C28H31N381.55242200
8198319

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31N/c1-2-4-10-16-29-27-15-9-8-13-23(27)21-18-25-24-14-7-6-12-22(24)20(11-5-3-1)17-26(25)28(29)19-21/h6-9,12-15,17,21,28H,1-5,10-11,16,18-19H2
C28H31N381.55242100
8493192

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28-/m0/s1
C28H31N381.55242100
8582932
InChI=1/C28H31N/c1(2-4-13-21-29-25-16-7-5-8-17-25)3-6-14-23-22-24-15-9-10-18-26(24)28-20-12-11-19-27(23)28/h5,7-12,15-20,22,29H,1-4,6,13-14,21H2
C28H31N381.55242100
8582933

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N/c1-2-4-10-18-29-28-15-9-8-14-26(28)23-16-17-25-22(11-5-3-1)19-21-12-6-7-13-24(21)27(25)20-23/h6-9,12-17,19,23,29H,1-5,10-11,18,20H2
C28H31N381.55242100
12

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