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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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Single/Multi-component
Isotopically Labeled
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Found 27 results

Search term: C35H61N3O9 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28184660

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.8735263900
22842402

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)27-35(44)47-29(22(10)11)32(41)37(14)26(20(6)7)34(43)46-28(21(8)9)31(40)36(13)25(19(4)5)33(42)45-24(17-18(2)3)30(39)38(27)15/h18-29H,16-17H2,1-15H3/t23?,24-,25+,26+,27+,28-,29-/m1/s1
C35H61N3O9667.87357500
20559417

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H61N3O9/c1-15-17-18-24-33(42)45-28(21(7)8)31(40)37(13)25(19(3)4)34(43)46-29(22(9)10)32(41)38(14)26(23(11)16-2)35(44)47-27(20(5)6)30(39)36(24)12/h19-29H,15-18H2,1-14H3/t23?,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87355400
78317613

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26?,27+,28+,29+/m0/s1
C35H61N3O9667.87354500
410818

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22?,23?,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87354400
2280009

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H61N3O9/c1-18(2)16-24-33(42)45-27(21(7)8)30(39)36(13)25(17-19(3)4)34(43)46-29(23(11)12)32(41)38(15)26(20(5)6)35(44)47-28(22(9)10)31(40)37(24)14/h18-29H,16-17H2,1-15H3/t24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.8735399999984400
9300357

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)28-31(40)37(14)24(18(3)4)33(42)45-27(21(9)10)30(39)36(13)25(19(5)6)34(43)46-29(23(12)17-2)32(41)38(15)26(20(7)8)35(44)47-28/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87354300
9333254

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)29-32(41)38(15)25(19(4)5)34(43)46-27(21(8)9)30(39)36(13)24(17-18(2)3)33(42)45-28(22(10)11)31(40)37(14)26(20(6)7)35(44)47-29/h18-29H,16-17H2,1-15H3/t23-,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87352100
9379677

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)29-32(41)38(15)26(20(6)7)35(44)46-28(22(10)11)31(40)37(14)25(19(4)5)34(43)45-27(21(8)9)30(39)36(13)24(17-18(2)3)33(42)47-29/h18-29H,16-17H2,1-15H3/t23-,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87352100
9665630

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)29-32(41)36(13)24(17-18(2)3)33(42)45-27(21(8)9)30(39)37(14)25(19(4)5)34(43)46-28(22(10)11)31(40)38(15)26(20(6)7)35(44)47-29/h18-29H,16-17H2,1-15H3/t23-,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87352100
9939697

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)26-35(44)47-29(22(10)11)31(40)37(14)25(19(4)5)34(43)46-27(20(6)7)30(39)36(13)24(17-18(2)3)33(42)45-28(21(8)9)32(41)38(26)15/h18-29H,16-17H2,1-15H3/t23-,24-,25-,26-,27?,28?,29?/m0/s1
C35H61N3O9667.87352100
2280012

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H61N3O9/c1-18(2)16-24-30(39)36(13)26(20(5)6)33(42)45-25(17-19(3)4)31(40)37(14)28(22(9)10)35(44)47-29(23(11)12)32(41)38(15)27(21(7)8)34(43)46-24/h18-29H,16-17H2,1-15H3/t24-,25-,26+,27+,28+,29-/m1/s1
C35H61N3O9667.8735399999982200
8185216

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27?,28?,29?/m0/s1
C35H61N3O9667.87352100
8185217

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)26-35(44)47-27(20(6)7)30(39)36(13)24(17-18(2)3)33(42)45-28(21(8)9)31(40)37(14)25(19(4)5)34(43)46-29(22(10)11)32(41)38(26)15/h18-29H,16-17H2,1-15H3/t23-,24-,25-,26-,27?,28?,29?/m0/s1
C35H61N3O9667.87352100
8637501

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H61N3O9/c1-16-23(12)26-35(44)47-29(22(10)11)31(40)37(14)25(19(4)5)34(43)46-27(20(6)7)30(39)36(13)24(17-18(2)3)33(42)45-28(21(8)9)32(41)38(26)15/h18-29H,16-17H2,1-15H3/t23?,24-,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87352100
9258051

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H61N3O9/c1-14-24-35(10)28-20(4)25(36-33(7,8)17-38(28)32(42)47-35)18(2)16-34(9,43-13)29(21(5)26(39)22(6)30(41)45-24)46-31-27(40)23(37(11)12)15-19(3)44-31/h18-24,26-29,31,39-40H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,26+,27-,28-,29-,31+,34-,35-/m1/s1
C35H61N3O9667.87352100
21433385

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C35H61N3O9/c1-18(2)16-24-33(42)45-27(21(7)8)30(39)36(13)25(17-19(3)4)34(43)46-29(23(11)12)32(41)38(15)26(20(5)6)35(44)47-28(22(9)10)31(40)37(24)14/h18-29H,16-17H2,1-15H3
C35H61N3O9667.87352200
21433386

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C35H61N3O9/c1-18(2)16-24-30(39)36(13)26(20(5)6)33(42)45-25(17-19(3)4)31(40)37(14)28(22(9)10)35(44)47-29(23(11)12)32(41)38(15)27(21(7)8)34(43)46-24/h18-29H,16-17H2,1-15H3
C35H61N3O9667.87352200
113601365

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m1/s1
C35H61N3O9667.87351100
128921584

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24?,25-,26-,27+,28+,29+/m0/s1
C35H61N3O9667.87351100
12

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