Matches any text strings used to describe a molecule.
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 19 results

Search term: YRECILNLFWZVRM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24534062

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31?,32+,33+,34-,35+/m1/s1
C35H49NO9627.7649252100
140112

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3
C35H49NO9627.764912900
23089570

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23-,24+,25-,26+,27+,29+,30-,31-,32+,33+,34-,35+/m1/s1
C35H49NO9627.76497400
62940239

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,29+,30-,31-,32+,33+,34-,35+/m1/s1
C35H49NO9627.76493200
64858196

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31?,32+,33?,34-,35+/m1/s1
C35H49NO9627.76492200
8207482

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22?,23-,24-,25?,26-,27?,29-,30?,31?,32-,33-,34+,35-/m0/s1
C35H49NO9627.76492100
44750663

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31+,32+,33+,34-,35+/m1/s1
C35H49NO9627.76492100
58780872

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31-,32+,33+,34-,35+/m1/s1
C35H49NO9627.76492200
26563271

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24-,25+,26-,27-,29-,30+,31-,32+,33-,34-,35?/m1/s1
C35H49NO9627.76492100
28642874

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,29+,30-,31?,32+,33+,34-,35+/m1/s1
C35H49NO9627.76492200
34018746

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24-,25+,26-,27-,29-,30+,31-,32+,33?,34-,35?/m1/s1
C35H49NO9627.76491100
78429469

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31?,32?,33-,34?,35+/m1/s1
C35H49NO9627.76491100
78429529

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23-,24-,25+,26+,27-,29+,30+,31-,32-,33-,34-,35-/m0/s1
C35H49NO9627.76491100
78429613

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23?,24+,25-,26+,27?,29?,30-,31?,32+,33+,34-,35?/m1/s1
C35H49NO9627.76491100
78430227

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23?,24-,25+,26+,27?,29?,30-,31?,32-,33-,34+,35?/m0/s1
C35H49NO9627.76491100
78430687

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,29+,30-,31?,32+,33-,34-,35+/m1/s1
C35H49NO9627.76491100
78431924

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23-,24+,25-,26+,27+,29-,30-,31-,32-,33+,34+,35-/m0/s1
C35H49NO9627.76491100
129308742

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,29+,30-,31-,32+,33?,34-,35+/m1/s1
C35H49NO9627.76491100

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