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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
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Isotopically Labeled
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Found 37 results

Search term: C38H47NO13 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21248534

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
C38H47NO13725.7787403900
25021334

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
C38H47NO13725.7787202800
21342213

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-
C38H47NO13725.7787153400
12957549

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38+/m0/s1
C38H47NO13725.7786813900
4942921

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12+/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
C38H47NO13725.7787121400
44245795

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38+/m0/s1
C38H47NO13725.77876700
2864505

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)
C38H47NO13725.7786799999994300
68005571

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16?,18-,19-,20-,24+,29+,30-,34-,38-/m0/s1
C38H47NO13725.77874300
24534101

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34?,38-/m0/s1
C38H47NO13725.77873200
65064122

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,24+,29+,30-,34+,38-/m1/s1
C38H47NO13725.77873200
29272457

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18?,19+,20+,24-,29-,30+,34+,38-/m0/s1
C38H47NO13725.77872400
95503520

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,24-,29?,30+,34+,38-/m0/s1
C38H47NO13725.77872200
107562584

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16?,18-,19-,20-,24+,29+,30-,34-,38+/m1/s1
C38H47NO13725.77872100
278892

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-14,16,18-20,24,29-30,34,40,42-44H,15H2,1-9H3,(H,39,48)
C38H47NO13725.77872100
4513398

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-14,16,18-20,24,29-30,34,40,42-44H,15H2,1-9H3,(H,39,48)/b11-10+,14-13+,17-12+
C38H47NO13725.77872200
9127904

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H47NO13/c1-42-21-49-27-14-12-26(13-15-27)37(41)39-29-9-6-10-30(29)48-20-25-18-32(51-23-44-3)35(33(19-25)52-24-45-4)36(40)34-28(38-46-16-7-17-47-38)8-5-11-31(34)50-22-43-2/h5,8,11-15,18-19,29-30,38H,6-7,9-10,16-17,20-24H2,1-4H3,(H,39,41)/t29-,30-/m1/s1
C38H47NO13725.77872100
114725381

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,24-,29-,30+,34?,38-/m0/s1
C38H47NO13725.77871100
128924521

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18-,19+,20+,24-,29-,30+,34+,38-/m0/s1
C38H47NO13725.77871100
78431573

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/t16-,18+,19+,20+,24-,29-,30+,34+,38+/m1/s1
C38H47NO13725.77871100
12

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