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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
Additional Filters

Found 14 results

Search term: C33H56O14 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8525018

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
C33H56O14676.7893141100
22943444

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23+,24+,26+,27-,28-,29-,30+,31+,32+,33+/m1/s1
C33H56O14676.78934100
114935454

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
C33H56O14676.78934400
4952775

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/b6-5-,9-8-,12-11-/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1
C33H56O14676.78933300
9620171

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C33H56O14/c1-13(35)17-8-10-33(43)18-6-5-15-11-16(7-9-31(15,3)20(18)22(37)28(42)32(17,33)4)45-29-26(41)24(39)27(14(2)44-29)47-30-25(40)23(38)21(36)19(12-34)46-30/h13-30,34-43H,5-12H2,1-4H3/t13-,14-,15?,16-,17+,18+,19+,20+,21+,22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33-/m0/s1
C33H56O14676.78932100
9803694

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22?,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-/m1/s1
C33H56O14676.78932100
10142274

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-20-22(45-33-31(42)29(40)27(38)24(19-35)47-33)21-44-32-30(41)28(39)26(37)23(18-34)46-32/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9u/t22?,23-,24+,26+,27-,28-,29+,30-,31+,32+,33+/m1/s1
C33H56O14676.78932200
10258861

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(46-31-28(41)25(38)22(35)19(6)44-31)26(39)23(36)20(45-32)15-42-30-27(40)24(37)21(34)18(5)43-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+/t18-,19-,20+,21-,22-,23+,24+,25+,26-,27+,28+,29+,30+,31-,32-,33?/m0/s1
C33H56O14676.78931100
10258862

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+/t18-,19-,20+,21-,22+,23+,24-,25-,26+,27+,28-,29+,30-,31-,32-,33?/m0/s1
C33H56O14676.78931100
78436163

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H56O14/c1-18-14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(19(2)30(40)43-20)31(41)46-28-26(38)24(36)22(17-35)45-33(28)47-29-27(39)25(37)21(16-34)44-32(29)42-18/h18-29,32-39H,3-17H2,1-2H3/t18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1
C33H56O14676.78931100
78439610

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H56O14/c1-18(15-13-11-9-7-5-4-6-8-10-12-14-16-21-23(30(40)41)19(2)31(42)45-21)43-32-28(39)26(37)29(22(17-34)46-32)47-33-27(38)25(36)24(35)20(3)44-33/h18,20-29,32-39H,2,4-17H2,1,3H3,(H,40,41)/t18-,20-,21-,22+,23+,24+,25-,26+,27+,28+,29+,32+,33-/m0/s1
C33H56O14676.78931100
78439841

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H56O14/c1-18(15-13-11-9-7-5-4-6-8-10-12-14-16-21-23(30(40)41)19(2)31(42)46-21)44-33-29(39)27(37)25(35)22(47-33)17-43-32-28(38)26(36)24(34)20(3)45-32/h18,20-29,32-39H,2,4-17H2,1,3H3,(H,40,41)/t18-,20+,21+,22-,23+,24-,25-,26+,27+,28-,29-,32-,33-/m1/s1
C33H56O14676.78931100
150129

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C14H20O4.C9H16O4.C6H10O4.C4H10O2/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;10-8(11)6-4-2-1-3-5-7-9(12)13;7-5(8)3-1-2-4-6(9)10;1-4(6)2-3-5/h8-13H,1-7H2;1-7H2,(H,10,11)(H,12,13);1-4H2,(H,7,8)(H,9,10);4-6H,2-3H2,1H3
C33H56O14676.7893399999981100
129310405

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/b6-5+,9-8+,12-11+/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1
C33H56O14676.78931100

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