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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 79 results

Search term: C30H41NO3 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4947944

Double-bond stereo
InChI=1/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,18-19,22-23,26,32-33H,2,5,8,11,14,17,20-21,24-25H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
C30H41NO3463.6514232600
2987188
InChI=1/C30H41NO3/c1-6-7-8-9-12-15-34-25-14-11-10-13-20(25)26-27-21(16-29(2,3)18-23(27)32)31-22-17-30(4,5)19-24(33)28(22)26/h10-11,13-14,26,31H,6-9,12,15-19H2,1-5H3
C30H41NO3463.65144191100
3867930
InChI=1/C30H41NO3/c1-6-7-8-9-10-15-34-21-13-11-20(12-14-21)26-27-22(16-29(2,3)18-24(27)32)31-23-17-30(4,5)19-25(33)28(23)26/h11-14,26,31H,6-10,15-19H2,1-5H3
C30H41NO3463.6514181000
4497786

Double-bond stereo
InChI=1/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33-30(32)27(25-31)24-28-21-22-29(34-28)26-19-16-15-17-20-26/h15-17,19-22,24H,2-14,18,23H2,1H3/b27-24-
C30H41NO3463.651410800
4678774

Double-bond stereo
InChI=1/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33-30(32)27(25-31)24-28-21-22-29(34-28)26-19-16-15-17-20-26/h15-17,19-22,24H,2-14,18,23H2,1H3/b27-24+
C30H41NO3463.65148400
10118965

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H41NO3/c1-20(32)34-24-14-16-29(2)21(18-24)10-12-25-26-13-11-22(30(26,3)17-15-27(25)29)19-28(33)31(4)23-8-6-5-7-9-23/h5-10,22,24-27H,11-19H2,1-4H3/t22-,24+,25+,26+,27+,29+,30-/m1/s1
C30H41NO3463.65148500
17462693

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C30H41NO3/c1-22-11-14-27-29(2,17-8-18-30(27,3)28(32)33-4)25(22)13-12-24-16-20-34-26(24)21-31-19-15-23-9-6-5-7-10-23/h5-7,9-10,16,20,25,27,31H,1,8,11-15,17-19,21H2,2-4H3/t25-,27?,29+,30-/m0/s1
C30H41NO3463.65148600
5005914

Double-bond stereo
InChI=1/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,18-19,22-23,26,32-33H,2,5,8,11,14,17,20-21,24-25H2,1H3,(H,31,34)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
C30H41NO3463.65146500
21346332

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H41NO3/c1-6-7-8-9-10-15-34-21-13-11-20(12-14-21)26-27-22(16-29(2,3)18-24(27)32)31-23-17-30(4,5)19-25(33)28(23)26/h11-14,26,32H,6-10,15-19H2,1-5H3
C30H41NO3463.65145400
28591881
InChI=1/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-33-28-22-18-27(19-23-28)30(32)34-29-20-16-26(25-31)17-21-29/h16-23H,2-15,24H2,1H3
C30H41NO3463.65144300
68647546

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C30H41NO3/c1-21(2)15-17-32-27-19-25-28(34-30(4,5)26-13-12-22(3)33-29(25)26)18-24(27)20-31(6)16-14-23-10-8-7-9-11-23/h7-11,15,18-19,22,26,29H,12-14,16-17,20H2,1-6H3/t22-,26-,29+/m0/s1
C30H41NO3463.65144300
3257223
InChI=1/C30H41NO3/c1-7-8-9-10-15-34-21-13-11-20(12-14-21)26-27-22(16-29(2,3)18-24(27)32)31(6)23-17-30(4,5)19-25(33)28(23)26/h11-14,26H,7-10,15-19H2,1-6H3
C30H41NO3463.65144200
165983
InChI=1/C30H41NO3/c1-6-9-16-31(17-10-7-2)18-13-19-33-30-22(4)20-24(21-23(30)5)29(32)28-25-14-11-12-15-27(25)34-26(28)8-3/h11-12,14-15,20-21H,6-10,13,16-19H2,1-5H3
C30H41NO3463.65143200
2128016

Double-bond stereo
InChI=1/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33-30(32)27(25-31)24-28-21-22-29(34-28)26-19-16-15-17-20-26/h15-17,19-22,24H,2-14,18,23H2,1H3
C30H41NO3463.651443200
8587517

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H41NO3/c1-21(2)20-30(6,31-27(32)23-13-9-7-10-14-23)28(33)34-26-19-22(3)17-18-25(26)29(4,5)24-15-11-8-12-16-24/h7-16,21-22,25-26H,17-20H2,1-6H3,(H,31,32)/t22-,25-,26-,30+/m1/s1
C30H41NO3463.65143200
58985918

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H41NO3/c1-18-19-8-9-22-28(4,20(19)16-21(32)24(18)33)13-15-30(6)23-17-27(3,25(34)31-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,33H,10-15,17H2,1-7H3,(H,31,34)/t23-,26-,27-,28+,29-,30+/m1/s1
C30H41NO3463.65143300
12120294

Double-bond stereo
InChI=1/C30H41NO3/c1-24-14-12-13-15-26(24)23-34-28-20-18-25(22-29(28)33-2)19-21-30(32)31-27-16-10-8-6-4-3-5-7-9-11-17-27/h12-15,18-22,27H,3-11,16-17,23H2,1-2H3,(H,31,32)/b21-19+
C30H41NO3463.65143200
23212149

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C30H41NO3/c1-3-4-5-6-17-31-18-7-8-22(20-31)29(33)34-28-14-13-27-26-11-9-21-19-23(32)10-12-24(21)25(26)15-16-30(27,28)2/h7,10,12,18-20,25-28,32H,3-6,8-9,11,13-17H2,1-2H3/t25-,26-,27+,28+,30+/m1/s1
C30H41NO3463.65142200
2949359

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C30H41NO3/c1-22-11-14-27-29(2,17-8-18-30(27,3)28(32)33-4)25(22)13-12-24-16-20-34-26(24)21-31-19-15-23-9-6-5-7-10-23/h5-7,9-10,16,20,25,27,31H,1,8,11-15,17-19,21H2,2-4H3
C30H41NO3463.651442100
3590062

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H41NO3/c1-20(32)34-24-14-16-29(2)21(18-24)10-12-25-26-13-11-22(30(26,3)17-15-27(25)29)19-28(33)31(4)23-8-6-5-7-9-23/h5-10,22,24-27H,11-19H2,1-4H3
C30H41NO3463.651442100
1234

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