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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 43 results

Search term: C32H49NO9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4528662

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
C32H49NO9591.73284043520418
19980910

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C32H49NO9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27(35)33-23-18-22-21(2)17-28(36)40-24(22)19-25(23)41-32-31(39)30(38)29(37)26(20-34)42-32/h17-19,26,29-32,34,37-39H,3-16,20H2,1-2H3,(H,33,35)/t26-,29+,30+,31-,32-/m1/s1
C32H49NO9591.7328322900
5257101

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32?/m0/s1
C32H49NO9591.73287600
111407

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C32H49NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(2)31(39)33-23-17-22-21(3)16-27(35)40-24(22)18-25(23)41-32-30(38)29(37)28(36)26(19-34)42-32/h16-18,20,26,28-30,32,34,36-38H,4-15,19H2,1-3H3,(H,33,39)/t20?,26-,28+,29+,30-,32-/m1/s1
C32H49NO9591.73286400
17467694

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H49NO9/c1-19-28(37)25(35)15-27(41-19)42-21-4-9-30(18-33-12-3-13-34)23-5-8-29(2)22(20-14-26(36)40-17-20)7-11-32(29,39)24(23)6-10-31(30,38)16-21/h14,18-19,21-25,27-28,34-35,37-39H,3-13,15-17H2,1-2H3/b33-18+/t19-,21+,22-,23+,24-,25+,27+,28-,29-,30+,31+,32+/m1/s1
C32H49NO9591.73285200
21509477

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6+/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
C32H49NO9591.73285400
29766871

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H49NO9/c1-19-28(37)25(35)15-27(41-19)42-21-4-9-30(18-33-12-3-13-34)23-5-8-29(2)22(20-14-26(36)40-17-20)7-11-32(29,39)24(23)6-10-31(30,38)16-21/h14,18-19,21-25,27-28,34-35,37-39H,3-13,15-17H2,1-2H3/t19-,21+,22-,23+,24-,25+,27+,28-,29-,30+,31+,32+/m1/s1
C32H49NO9591.73284300
30208539

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6+/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32+/m0/s1
C32H49NO9591.73284300
17472757

Double-bond stereo

4 of 12 defined stereocentres - 4/12 defined
InChI=1/C32H49NO9/c1-19-28(36)25(39-3)15-27(41-19)42-21-4-9-30(18-33-12-13-34)23-5-8-29(2)22(20-14-26(35)40-17-20)7-11-32(29,38)24(23)6-10-31(30,37)16-21/h14,18-19,21-25,27-28,34,36-38H,4-13,15-17H2,1-3H3/b33-18+/t19?,21?,22-,23-,24?,25?,27?,28?,29+,30-,31?,32?/m0/s1
C32H49NO9591.73284100
21505832

Double-bond stereo

1 of 14 defined stereocentres - 1/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17?,19?,20?,21?,22?,23?,24-,26?,27?,28?,29?,30?,31?,32?/m0/s1
C32H49NO9591.73284100
5892

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
C32H49NO9591.73284300
4508547

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6+
C32H49NO9591.7328435600
2327425

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C32H49NO9/c1-17(33-15-25(35)28(38)27(37)18(2)34)29(39)42-21-7-10-30(3)20(14-21)5-6-24-23(30)8-11-31(4)22(9-12-32(24,31)40)19-13-26(36)41-16-19/h13,15,17-18,20-25,27-28,34-35,37-38,40H,5-12,14,16H2,1-4H3/b33-15+
C32H49NO9591.7327599999983500
48061621

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H49NO9/c1-21(18-23(3)27(34)20-40-5)12-8-7-9-13-22(2)28(41-6)19-25-16-15-24(4)32(39,42-25)29(35)30(36)33-17-11-10-14-26(33)31(37)38/h7-9,12-13,21,23-26,28,39H,10-11,14-20H2,1-6H3,(H,37,38)/b9-7+,12-8+,22-13+/t21-,23-,24-,25+,26+,28+,32-/m1/s1
C32H49NO9591.73283200
3464294

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C32H49NO9/c1-19-28(37)25(35)15-27(41-19)42-21-4-9-30(18-33-12-3-13-34)23-5-8-29(2)22(20-14-26(36)40-17-20)7-11-32(29,39)24(23)6-10-31(30,38)16-21/h14,18-19,21-25,27-28,34-35,37-39H,3-13,15-17H2,1-2H3/b33-18+
C32H49NO9591.7327599999982100
5456

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3
C32H49NO9591.73282100
8048947

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C32H49NO9/c1-21(18-23(3)27(34)20-40-5)12-8-7-9-13-22(2)28(41-6)19-25-16-15-24(4)32(39,42-25)29(35)30(36)33-17-11-10-14-26(33)31(37)38/h7-9,12-13,21,23-26,28,39H,10-11,14-20H2,1-6H3,(H,37,38)/b9-7+,12-8+,22-13+/t21-,23-,24-,25?,26?,28+,32-/m1/s1
C32H49NO9591.73282100
8135787

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C32H49NO9/c1-9-11-20(4)29(42-32-28(38)27(37)26(36)24(17-34)41-32)21(5)16-19(3)13-10-12-18(2)14-15-23-22(6)25(35)30(39-7)31(33-23)40-8/h10-11,13-14,16,21,24,26-29,32,34,36-38H,9,12,15,17H2,1-8H3,(H,33,35)/b13-10+,18-14+,19-16+,20-11+/t21?,24-,26-,27+,28-,29?,32+/m1/s1
C32H49NO9591.73282100
4975991

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22?,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
C32H49NO9591.73282200
123

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