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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 122 results

Search term: C29H48O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
254121

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)
C29H48O5476.68849800
9093016

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H48O5/c1-8-26(4)11-9-12-27(5)19(26)10-13-28(6)20(27)15-22(34-17(3)30)29(7)21(28)14-18(31)23-16(2)33-25(32)24(23)29/h16,18-25,31-32H,8-15H2,1-7H3/t16-,18-,19-,20+,21-,22-,23+,24+,25+,26-,27-,28+,29+/m0/s1
C29H48O5476.68846500
176822

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O5/c1-19(2)7-6-8-20(3)23-9-10-24-22-15-26(34-18-31)29(32)16-21(33-17-30)11-14-28(29,5)25(22)12-13-27(23,24)4/h17-26,32H,6-16H2,1-5H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
C29H48O5476.68845500
7826485

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H48O5/c1-19(8-6-14-28(3,4)33)23-12-13-24-21(9-7-15-29(23,24)5)10-11-22-18-25(31)27(34-17-16-30)26(32)20(22)2/h10-11,19,23-27,30-33H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24+,25-,26-,27-,29-/m1/s1
C29H48O5476.68844400
9148032

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H48O5/c1-16-23-18(31)14-21-28(6)13-10-19-26(3,4)11-9-12-27(19,5)20(28)15-22(34-17(2)30)29(21,7)24(23)25(32-8)33-16/h16,18-25,31H,9-15H2,1-8H3/t16-,18-,19-,20+,21-,22-,23+,24+,25-,27-,28+,29+/m0/s1
C29H48O5476.68844300
9277998

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H48O5/c1-16-23-18(31)14-21-28(6)13-10-19-26(3,4)11-9-12-27(19,5)20(28)15-22(34-17(2)30)29(21,7)24(23)25(32-8)33-16/h16,18-25,31H,9-15H2,1-8H3/t16-,18-,19-,20+,21-,22-,23+,24+,25+,27-,28+,29+/m0/s1
C29H48O5476.68844300
23238778

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)/t19-,21?,22+,23-,24+,25+,28-,29-/m1/s1
C29H48O5476.68843300
27024526

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24(28(23,5)14-15-34-20(4)30)22-17-26(32)25-16-21(31)12-13-29(25,6)27(22)33/h17-19,21,23-26,31-32H,7-16H2,1-6H3/t19-,21+,23-,24+,25-,26+,28-,29+/m1/s1
C29H48O5476.68843300
29215561

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H48O5/c1-17(2)8-7-9-18(3)22-10-11-23-21-14-25(32)29(33)15-20(31)12-13-28(29,6)26(21)24(34-19(4)30)16-27(22,23)5/h8,18,20-26,31-33H,7,9-16H2,1-6H3/t18-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
C29H48O5476.68843300
29784822

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H48O5/c1-17(2)8-7-9-18(3)22-10-11-23-21-14-25(32)29(33)15-20(34-19(4)30)12-13-28(29,6)26(21)24(31)16-27(22,23)5/h7,9,17-18,20-26,31-33H,8,10-16H2,1-6H3/b9-7+/t18-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
C29H48O5476.688423300
58988082

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-29(23-30,34-26(25)31)24-33-27(32)28(2,3)4/h9-10,12-13,21,30H,5-8,11,14-20,22-24H2,1-4H3/b10-9-,13-12-,25-21+
C29H48O5476.68843300
58988085

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h8-9,11-12,21,25,30H,4-7,10,13-20,22-24H2,1-3H3/b9-8+,12-11+,26-21-
C29H48O5476.68843300
58988238

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-10,13-20,22-24H2,1-3H3/b26-21-
C29H48O5476.68843300
58988388

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-10,13-20,22-24H2,1-3H3/b26-21+
C29H48O5476.68843300
58988764

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h8-9,11-12,21,25,30H,4-7,10,13-20,22-24H2,1-3H3/b9-8+,12-11+,26-21+
C29H48O5476.68843300
58992009

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-29(23-30,34-26(25)31)24-33-27(32)28(2,3)4/h9-10,12-13,21,30H,5-8,11,14-20,22-24H2,1-4H3/b10-9-,13-12-,25-21-
C29H48O5476.68843300
8272081

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O5/c1-17(2)18-10-13-29(34)15-14-27(6)19(24(18)29)8-9-20-26(5,12-11-23(31)32)21(25(3,4)33)16-22(30)28(20,27)7/h18-22,24,30,33-34H,1,8-16H2,2-7H3,(H,31,32)/t18-,19+,20+,21-,22-,24+,26+,27+,28-,29-/m0/s1
C29H48O5476.68843200
4927686
InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)29(31)34-27-23-20-19-22-26(27)33-25(2)3/h19-20,22-23,25H,4-18,21,24H2,1-3H3
C29H48O5476.68843400
4928921

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-4-6-8-9-10-11-12-13-14-17-22-33-28(30)26-19-15-16-20-27(26)29(31)34-24-25(18-7-5-2)21-23-32-3/h15-16,19-20,25H,4-14,17-18,21-24H2,1-3H3
C29H48O5476.68843400
4929211

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-28(30)26-18-15-16-19-27(26)29(31)34-24-21-25(2)20-23-32-3/h15-16,18-19,25H,4-14,17,20-24H2,1-3H3
C29H48O5476.68843400
12345

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