Matches any text strings used to describe a molecule.
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
Additional Filters

Found 93 results

Search term: C33H54O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6694
InChI=1/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3
C33H54O6546.7783515240
17681

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
C33H54O6546.77834758231
10617402
InChI=1/C33H54O6/c1-25(2)16-10-7-13-21-37-31(34)28-19-20-29(32(35)38-22-14-8-11-17-26(3)4)30(24-28)33(36)39-23-15-9-12-18-27(5)6/h19-20,24-27H,7-18,21-23H2,1-6H3
C33H54O6546.7783151900
62782053

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H54O6/c1-29(2)25-12-11-23-22(31(25,5)16-15-26(29)35)14-18-32(6)21(13-17-33(23,32)7)20(28(37-8)38-9)19-24(34)27(36)30(3,4)39-10/h11,20-22,25,27-28,36H,12-19H2,1-10H3/t20-,21-,22-,25-,27+,31+,32-,33+/m0/s1
C33H54O6546.77839800
55984

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H54O6/c1-7-10-13-16-19-25(4)37-31(34)28-22-23-29(32(35)38-26(5)20-17-14-11-8-2)30(24-28)33(36)39-27(6)21-18-15-12-9-3/h22-27H,7-21H2,1-6H3
C33H54O6546.77838800
8522892

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H54O6/c1-19(20(2)29(5,6)38-22(4)35)28(37-21(3)34)32(9)33(39-32)17-14-27-25-11-10-23-18-24(36)12-15-30(23,7)26(25)13-16-31(27,33)8/h19-20,23-28,36H,10-18H2,1-9H3/t19-,20-,23-,24+,25+,26-,27-,28+,30-,31-,32-,33-/m0/s1
C33H54O6546.77835400
9389997

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H54O6/c1-10-12-13-22(3)29-19-30(39-33(7,8)38-29)24(5)32(37-21-27-14-16-28(36-9)17-15-27)25(6)31(35)23(4)18-26(11-2)20-34/h1,14-17,22-26,29-32,34-35H,11-13,18-21H2,2-9H3/t22-,23-,24-,25+,26-,29-,30-,31-,32-/m0/s1
C33H54O6546.77833100
20570717

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O6/c1-9-10-13-25(5)33-27(7)29(34)19-16-22(2)20-26(6)32(37)24(4)17-18-28(38-8)21-30(35)23(3)14-11-12-15-31(36)39-33/h9-15,17-18,22-30,32-35,37H,1,16,19-21H2,2-8H3/b13-10-,14-11+,15-12-,18-17-/t22-,23+,24-,25-,26-,27-,28+,29+,30-,32-,33-/m0/s1
C33H54O6546.77833300
23110062

Double-bond stereo
InChI=1/C33H54O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(35)38-26-28-25-29(34)30(27-37-28)39-32(36)33(2,3)4/h12-13,25,27H,5-11,14-24,26H2,1-4H3/b13-12+
C33H54O6546.77833300
471206

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C33H54O6/c1-20(19-37-22(3)34)8-13-31(39-24(5)36)21(2)28-11-12-29-27-10-9-25-18-26(38-23(4)35)14-16-32(25,6)30(27)15-17-33(28,29)7/h20-21,25-31H,8-19H2,1-7H3
C33H54O6546.77833400
8160519

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C33H54O6/c1-8-38-19-39-28(37)33-14-11-20(2)21(3)26(33)22-9-10-25-29(4)17-23(35)27(36)30(5,18-34)24(29)12-13-32(25,7)31(22,6)15-16-33/h9,20-21,23-27,34-36H,8,10-19H2,1-7H3/t20-,21+,23-,24?,25?,26?,27+,29+,30+,31-,32-,33+/m1/s1
C33H54O6546.77833200
34996383

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3/t25-,26-,27+/m0/s1
C33H54O6546.77833400
8228749

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H54O6/c1-30(2,3)39-29(36)18-24-17-23(37-31(4,5)38-24)11-8-20-10-13-26-25-12-9-21-16-22(34)14-15-32(21,6)27(25)19-28(35)33(20,26)7/h8,11,20-28,34-35H,9-10,12-19H2,1-7H3/b11-8+/t20?,21-,22-,23-,24-,25+,26+,27+,28+,32+,33-/m1/s1
C33H54O6546.77832100
8500630

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H54O6/c1-30(2,3)39-29(36)18-24-17-23(37-31(4,5)38-24)11-8-20-10-13-26-25-12-9-21-16-22(34)14-15-32(21,6)27(25)19-28(35)33(20,26)7/h8,11,20-28,34-35H,9-10,12-19H2,1-7H3/b11-8+/t20?,21-,22-,23+,24+,25+,26+,27+,28+,32+,33-/m1/s1
C33H54O6546.77832100
138379

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H54O6/c1-7-13-16-19-26(10-4)37-31(34)25-22-23-29(32(35)38-27(11-5)20-17-14-8-2)30(24-25)33(36)39-28(12-6)21-18-15-9-3/h22-24,26-28H,7-21H2,1-6H3
C33H54O6546.77832200
454848
InChI=1/C33H54O6/c1-22(2)16-31(7,8)19-37-28(34)25-13-14-26(29(35)38-20-32(9,10)17-23(3)4)27(15-25)30(36)39-21-33(11,12)18-24(5)6/h13-15,22-24H,16-21H2,1-12H3
C33H54O6546.77832200
29212774

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H54O6/c1-19(2)20(3)7-8-21(4)24-9-10-25-23-12-16-33(37)17-22(39-30-29(36)28(35)27(34)18-38-30)11-15-32(33,6)26(23)13-14-31(24,25)5/h7-8,12,19-22,24-30,34-37H,9-11,13-18H2,1-6H3/b8-7+/t20-,21-,22+,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-/m1/s1
C33H54O6546.77832200
31141531

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H54O6/c1-20(2)23-11-16-33(29(36)37)18-17-31(6)25(28(23)33)9-10-26-30(5,14-13-27(35)38-8)24(12-15-32(26,31)7)21(3)19-39-22(4)34/h20-21,23-26,28H,9-19H2,1-8H3,(H,36,37)/t21?,23-,24-,25+,26+,28+,30-,31+,32+,33-/m0/s1
C33H54O6546.77832200
9745006

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C33H54O6/c1-28(2)22-12-17-32(7)23(30(22,5)15-13-24(28)38-27(36)19-26(34)35)10-9-20-21(11-16-31(20,32)6)33(8)18-14-25(39-33)29(3,4)37/h20-25,37H,9-19H2,1-8H3,(H,34,35)/t20?,21-,22?,23?,24+,25-,30-,31+,32+,33?/m0/s1
C33H54O6546.77832100
9975401

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C33H54O6/c1-18(20-7-8-20)28(34)29(35)19(2)22-9-10-23-21-16-33(36-13-14-37-33)27-15-25-26(39-30(3,4)38-25)17-32(27,6)24(21)11-12-31(22,23)5/h18-29,34-35H,7-17H2,1-6H3/t18-,19-,21?,22+,23?,24?,25-,26+,27?,28+,29+,31+,32+/m0/s1
C33H54O6546.77832100
12345

Advertisement