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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 62 results

Search term: C33H54O5 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19171

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1
C33H54O5530.7789821582163
376407

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)
C33H54O5530.7789252600
10009454

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C33H54O5/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28,34H,9-19H2,1-8H3
C33H54O5530.77897400
385383

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-17-24(34)18-15-16-19-27(35)37-29-32-22-31(32,4)26-21-30(2,3)20-25(26)28-33(32,38-28)23-36-29/h25-26,28-29H,5-23H2,1-4H3
C33H54O5530.77896500
24650862

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23?,24?,33-/m1/s1
C33H54O5530.77893300
9299423

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12-/t26-,30-,31+,32-,33+/m1/s1
C33H54O5530.77893200
31148971

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H54O5/c1-28(2)13-15-33(27(37)38-18-8-17-34)16-14-31(6)21(22(33)19-28)9-10-25-30(5)20-23(35)26(36)29(3,4)24(30)11-12-32(25,31)7/h9,22-26,34-36H,8,10-20H2,1-7H3/t22-,23+,24-,25+,26-,30-,31+,32+,33-/m0/s1
C33H54O5530.77893300
58133676

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H54O5/c1-21(2)22(3)9-10-24(19-38-23(4)34)25-13-15-31(8)27-12-11-26(29(5,6)37)32(16-14-28(35)36)20-33(27,32)18-17-30(25,31)7/h21,24-27,37H,3,9-20H2,1-2,4-8H3,(H,35,36)/t24-,25+,26-,27-,30+,31-,32+,33-/m0/s1
C33H54O5530.77893300
9975037

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O5/c1-9-23(19(2)3)11-10-20(4)26-12-13-27-31-28(14-15-32(26,27)7)33(8)24(17-29(31)38-22(6)35)16-25(18-30(33)36)37-21(5)34/h19-20,23-29,31H,9-18H2,1-8H3/t20-,23-,24-,25-,26-,27+,28+,29-,31+,32-,33+/m1/s1
C33H54O5530.77892100
26343588

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O5/c1-20(2)38-28(37)33-15-10-22(21(3)18-34)27(33)23-8-9-25-29(4)13-12-26(36)30(5,19-35)24(29)11-14-32(25,7)31(23,6)16-17-33/h20,22-27,34-36H,3,8-19H2,1-2,4-7H3/t22-,23+,24+,25+,26-,27+,29-,30-,31+,32+,33-/m0/s1
C33H54O5530.77892200
28528282

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O5/c1-20(2)22-10-15-33(28(37)38-19-21(35)18-34)17-16-31(6)23(27(22)33)8-9-25-30(5)13-12-26(36)29(3,4)24(30)11-14-32(25,31)7/h21-27,34-36H,1,8-19H2,2-7H3/t21-,22+,23-,24+,25-,26+,27-,30+,31-,32-,33+/m1/s1
C33H54O5530.77892200
28668555

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H54O5/c1-20-10-15-33(28(37)38-19-22(35)18-34)17-16-31(6)23(27(33)21(20)2)8-9-25-30(5)13-12-26(36)29(3,4)24(30)11-14-32(25,31)7/h8,20-22,24-27,34-36H,9-19H2,1-7H3/t20-,21+,22?,24+,25-,26+,27+,30+,31-,32-,33+/m1/s1
C33H54O5530.77892200
10119212

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O5/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28,34H,9-19H2,1-8H3/t20-,23-,24-,25-,26+,27-,28-,30+,31+,32-,33-/m0/s1
C33H54O5530.77892100
10119213

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O5/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28,34H,9-19H2,1-8H3/t20-,23+,24+,25+,26-,27+,28+,30-,31-,32+,33+/m1/s1
C33H54O5530.77892100
23148524

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C33H54O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21-26,35H,10-19H2,1-9H3/t21?,22-,23+,24-,25+,26+,30+,31-,32-,33?/m1/s1
C33H54O5530.77892200
8025643

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H54O5/c1-8-9-10-17-28-22-29(23-30(28)34)31(32(35)37-20-18-26(6)15-11-13-24(2)3)33(36)38-21-19-27(7)16-12-14-25(4)5/h13-14,22,26-28,31H,8-12,15-21,23H2,1-7H3
C33H54O5530.77892100
8753541

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H54O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21-26,35H,10-19H2,1-9H3/t21-,22-,23-,24+,25-,26-,30-,31+,32+,33-/m0/s1
C33H54O5530.77892100
8753542

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H54O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21-26,35H,10-19H2,1-9H3/t21-,22+,23-,24+,25-,26-,30-,31+,32+,33-/m0/s1
C33H54O5530.77892100
8753543

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C33H54O5/c1-8-33(9-2)30(37-31(5,6)38-33)16-18-36-23(4)28-14-15-29-24(11-10-17-32(28,29)7)12-13-25-19-27(35)20-26(21-34)22(25)3/h12-13,23,26-30,34-35H,3,8-11,14-21H2,1-2,4-7H3/b24-12+,25-13-/t23-,26-,27-,28-,29+,30+,32-/m1/s1
C33H54O5530.77892100
9093725

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H54O5/c1-20(2)7-6-8-21(3)24-9-10-25-31-26(14-16-33(24,25)5)32(4)15-13-23(17-22(32)18-28(31)36)37-30-12-11-27(35)29(19-34)38-30/h11-12,18,20-21,23-31,34-36H,6-10,13-17,19H2,1-5H3/t21-,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-/m1/s1
C33H54O5530.77892100
1234

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