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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 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
C29H36O7496.59198800
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
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
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
C29H36O7496.59194300
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
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
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
76774239

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H36O7/c1-15-12-29(34)20(21(15)36-24(32)17-10-8-7-9-11-17)23(35-16(2)30)27(5)13-18-19(28(27,6)25(29)33)14-26(3,4)22(18)31/h7-11,15,18-21,23,34H,12-14H2,1-6H3/t15-,18+,19+,20+,21-,23+,27-,28+,29+/m0/s1
C29H36O7496.59192200
128716375

Double-bond stereo
InChI=1/C29H36O7/c1-16(2)8-7-9-17(3)10-11-18-20(30)14-21(31)25-26(33)24-19(12-13-29(4,5)34)27(35-6)22(32)15-23(24)36-28(18)25/h8,10,14-15,30-32,34H,7,9,11-13H2,1-6H3/b17-10+
C29H36O7496.59192200
8002900

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O7/c1-4-6-22-24(12-9-20-10-13-26(29(31)32)36-27(20)22)34-15-5-16-35-25-14-11-21(18(2)30)28(33-3)23(25)17-19-7-8-19/h9,11-12,14,19,26H,4-8,10,13,15-17H2,1-3H3,(H,31,32)
C29H36O7496.59192100
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
8250082
InChI=1/C29H36O7/c1-4-5-6-7-8-9-10-11-20-34-25-16-12-23(13-17-25)28(32)35-26-18-14-24(15-19-26)29(33)36-27(21(2)30)22(3)31/h12-19,27H,4-11,20H2,1-3H3
C29H36O7496.59192100
8250083

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H36O7/c1-9-10-18-17(4)14-23(36-28(32)29(5,6)7)25-20(18)15-34-27(31)24-22(35-25)12-11-19(26(24)33-8)21(30)13-16(2)3/h9,11-12,14,16,21,30H,1,10,13,15H2,2-8H3/t21-/m0/s1
C29H36O7496.59192100
8250084

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H36O7/c1-28(2)33-20-24(34-28)26-27(36-29(3,4)35-26)25(32-19-22-14-9-6-10-15-22)23(16-11-17-30)31-18-21-12-7-5-8-13-21/h5-17,23-27H,18-20H2,1-4H3/b16-11+/t23-,24+,25+,26+,27+/m0/s1
C29H36O7496.59192100
8404047

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
1234

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