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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 78 results

Search term: C29H36O7 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
894230
InChI=1/C29H36O7/c1-16(2)35-24(32)15-34-20-9-8-17(10-21(20)33-7)25-26-18(30)11-28(3,4)13-22(26)36-23-14-29(5,6)12-19(31)27(23)25/h8-10,16,25H,11-15H2,1-7H3
C29H36O7496.5919171100
11504713
InChI=1/C29H36O7/c1-31-27-12-8-25(9-13-27)29(24-6-4-3-5-7-24,26-10-14-28(32-2)15-11-26)36-23-22-35-21-20-34-19-18-33-17-16-30/h3-15,30H,16-23H2,1-2H3
C29H36O7496.591912900
93240
InChI=1/C29H36O7/c1-21(2)27(30)35-18-16-32-15-17-33-25-11-7-23(8-12-25)29(5,6)24-9-13-26(14-10-24)34-19-20-36-28(31)22(3)4/h7-14H,1,3,15-20H2,2,4-6H3
C29H36O7496.591981000
4475100

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O7/c1-16-19(30)15-29(35)25(33)23-17(2)20(36-21(31)12-11-18-9-7-6-8-10-18)13-14-28(23,5)26(34)24(32)22(16)27(29,3)4/h6-12,20,23-26,32-35H,2,13-15H2,1,3-5H3/b12-11+/t20-,23-,24+,25-,26-,28+,29+/m0/s1
C29H36O7496.59197800
8566572

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)/t19-,25-,26-,27+,28-,29+/m1/s1
C29H36O7496.59196500
8611354

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H36O7/c1-14-11-18-27(3,24(33)22(14)32)8-10-29(5)19-13-16(30)20-15(26(19,2)7-9-28(18,29)4)12-17(31)23(36-6)21(20)25(34)35/h12-14,18,24,31,33H,7-11H2,1-6H3,(H,34,35)/t14-,18?,24-,26+,27-,28+,29-/m1/s1
C29H36O7496.59194300
8430767

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O7/c1-27-14-13-24(31)28(2,17-30)22(27)12-15-29(18-35-29)23(27)10-9-20-21(16-34-26(20)33)36-25(32)11-8-19-6-4-3-5-7-19/h3-9,11,21-24,30-31H,10,12-18H2,1-2H3/b11-8+,20-9+/t21-,22+,23+,24-,27-,28+,29-/m1/s1
C29H36O7496.59194300
216479

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C29H36O7/c1-14(30)34-17-7-9-28(3)16(11-17)5-6-18-21(28)8-10-29(4)22(18)12-19-24-20(26(32)36-27(24)33)13-23(25(19)29)35-15(2)31/h5,17-22,24H,6-13H2,1-4H3/t17-,18+,19?,20?,21-,22-,24?,28-,29-/m0/s1
C29H36O7496.59194400
2591324

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H36O7/c1-14(30)34-17-7-9-28(3)16(11-17)5-6-18-21(28)8-10-29(4)22(18)12-19-24-20(26(32)36-27(24)33)13-23(25(19)29)35-15(2)31/h5,17-22,24H,6-13H2,1-4H3
C29H36O7496.59194200
61708591

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C29H36O7/c1-6-7-8-9-10-17(2)11-19(4)28(34)36-29(5)25(32)14-20-13-24(35-16-22(20)27(29)33)26-18(3)12-21(30)15-23(26)31/h11,13-14,16-17,21,30H,6-10,12,15H2,1-5H3/b19-11+/t17?,21-,29+/m1/s1
C29H36O7496.59194400
23147911

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O7/c1-4-8-24-26(12-11-23(18(2)30)28(24)32)35-13-6-5-7-14-36-27-17-22-15-21(29(33)34)10-9-20(22)16-25(27)19(3)31/h11-12,16-17,21,32H,4-10,13-15H2,1-3H3,(H,33,34)
C29H36O7496.59193300
10001800

Double-bond stereo
InChI=1/C29H36O7/c1-16(2)8-7-9-17(3)10-11-19-24-22(15-21(31)28(19)35-6)36-23-14-20(30)18(12-13-29(4,5)34)26(32)25(23)27(24)33/h8,10,14-15,30-32,34H,7,9,11-13H2,1-6H3/b17-10+
C29H36O7496.59193200
8067689

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H36O7/c1-27-14-13-24(31)28(2,17-30)22(27)12-15-29(18-35-29)23(27)10-9-20-21(16-34-26(20)33)36-25(32)11-8-19-6-4-3-5-7-19/h3-9,11,21-24,30-31H,10,12-18H2,1-2H3/b11-8+,20-9+/t21-,22+,23+,24-,27-,28+,29?/m1/s1
C29H36O7496.59192100
8611355
InChI=1/C29H36O7/c1-4-5-6-7-8-9-10-11-20-34-24-14-12-23(13-15-24)28(32)35-25-16-18-26(19-17-25)36-29(33)27(21(2)30)22(3)31/h12-19,27H,4-11,20H2,1-3H3
C29H36O7496.59192100
8728706

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O7/c1-20(2)7-6-8-21(3)13-14-33-23-11-9-22(10-12-23)26-17-25(30)29-27(35-19-32-5)15-24(34-18-31-4)16-28(29)36-26/h7,9-13,15-16,26H,6,8,14,17-19H2,1-5H3/b21-13+
C29H36O7496.59192100
8871941

Double-bond stereo
InChI=1/C29H36O7/c1-21(2)7-6-8-22(3)15-16-34-24-12-9-23(10-13-24)11-14-26(30)29-27(31)17-25(35-19-32-4)18-28(29)36-20-33-5/h7,9-15,17-18,31H,6,8,16,19-20H2,1-5H3/b14-11+,22-15+
C29H36O7496.59192100
9071595

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H36O7/c1-21-26(18-30)35-25-14-16-29(32-3,15-7-17-33-19-23-10-12-24(31-2)13-11-23)36-28(25)27(21)34-20-22-8-5-4-6-9-22/h4-6,8-13,18,25-28H,1,7,14-17,19-20H2,2-3H3/t25-,26-,27-,28-,29-/m1/s1
C29H36O7496.59192100
9640944

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C29H36O7/c1-18(2)23(14-26-20(4)17-33-29(36-26)22-9-7-6-8-10-22)15-27(34-21(5)31)25-16-24(35-28(25)32)13-19(3)11-12-30/h6-11,16,23-24,26-27,29-30H,1,4,12-15,17H2,2-3,5H3/b19-11+/t23-,24-,26?,27?,29?/m1/s1
C29H36O7496.59192100
9927029

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O7/c1-4-34-27(32)29-14-13-19(35-17-18-9-6-5-7-10-18)15-22(29)24(33-3)25-28(2,23(29)16-30)21-12-8-11-20(21)26(31)36-25/h5-7,9-10,16,19,22-25H,4,8,11-15,17H2,1-3H3/t19-,22+,23-,24+,25+,28-,29+/m0/s1
C29H36O7496.59192100
27471247

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H36O7/c1-17-13-21(27(32)36-28(3,4)24(17)15-26(31)33-6)14-19-7-10-25(35-18(2)30)29(5)22(19)8-9-23(29)20-11-12-34-16-20/h7-8,11-13,16,21,23-25H,9-10,14-15H2,1-6H3/t21-,23+,24-,25+,29-/m1/s1
C29H36O7496.59192300
1234

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