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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 18 results

Search term: DBUCFOVFALNEOO (Found by InChIKey (skeleton match))
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
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
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
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
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
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
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
8523879

Double-bond stereo

9 of 14 defined stereocentres - 9/14 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
C32H49NO9591.73282100
64858952

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
24713090

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
C32H49NO9591.73282200
68151580

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
C32H49NO9591.73281100
82827621

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
C32H49NO9591.73281100
82965872

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/t17-,19?,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m1/s1
C32H49NO9591.73281100
111318680

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-/m1/s1
C32H49NO9591.73281100
113600702

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+/m1/s1
C32H49NO9591.73281100

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