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 23 results

Search term: C27H46O9 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112747248

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H44O8.H2O/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4;/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3;1H2/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+;/m0./s1
C27H46O9514.64874500
487376

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H46O9/c1-17(2)19-8-7-18(3)14-27(19)35-25(28)24-22-20(33-15-31-11-9-29-5)13-21(23(22)26(24,4)36-27)34-16-32-12-10-30-6/h17-24H,7-16H2,1-6H3
C27H46O9514.64873400
4532250

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H46O9/c1-7-19-13-16(2)20(28)12-10-8-9-11-17(3)34-22(30)14-21(29)25(33-6)24(19)36-23-15-27(5,32)26(31)18(4)35-23/h8-10,12,16-21,23-26,28-29,31-32H,7,11,13-15H2,1-6H3/b9-8+,12-10+
C27H46O9514.64873300
9458696

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H46O9/c1-9-23(35-17-29-4)24(32-7)14-22(34-16-20-10-12-21(31-6)13-11-20)15-25(33-8)27(36-18-30-5)26(28)19(2)3/h9-13,19,22-28H,1,14-18H2,2-8H3/t22-,23+,24+,25+,26?,27+/m0/s1
C27H46O9514.64873200
23136313

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H46O9/c1-17(14-24(30)34-12-10-8-6-5-7-9-11-23(29)33-4)13-21-26(32)25(31)20(16-35-21)15-22-27(36-22)18(2)19(3)28/h14,18-22,25-28,31-32H,5-13,15-16H2,1-4H3/b17-14+/t18-,19-,20?,21-,22-,25+,26-,27-/m0/s1
C27H46O9514.64873300
9672008

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21?,22-,24+,25+,26-,27-/m1/s1
C27H46O9514.64872100
9137538

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C27H46O9/c1-6-33-27(29)24-13-22-18(7-8-21-23(22)9-17(2)26(21)36-16-32-5)10-19(34-14-30-3)11-20(12-25(24)28)35-15-31-4/h7-8,17-26,28H,6,9-16H2,1-5H3/t17-,18+,19+,20+,21-,22-,23-,24?,25?,26-/m0/s1
C27H46O9514.64872100
302915

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H46O9/c1-7-19-13-16(2)20(28)12-10-8-9-11-17(3)34-22(30)14-21(29)25(33-6)24(19)36-23-15-27(5,32)26(31)18(4)35-23/h8-10,12,16-21,23-26,28-29,31-32H,7,11,13-15H2,1-6H3
C27H46O9514.64872100
62465513

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22+,24-,25-,26+,27-/m1/s1
C27H46O9514.64872300
62465514

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22+,24-,25-,26+,27+/m1/s1
C27H46O9514.64872300
62465515

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26+,27-/m0/s1
C27H46O9514.64872400
62465516

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22+,24-,25-,26-,27+/m1/s1
C27H46O9514.64872200
62465517

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26+,27+/m0/s1
C27H46O9514.64872300
90641594
InChI=1/C27H46O9/c1-22(2)24-7-6-8-25(23(3)4)27(24)36-26(28)21-35-20-19-34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-29-5/h6-8,22-23H,9-21H2,1-5H3
C27H46O9514.64872200
115267113

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1
C27H46O9514.64871100
30650440

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C27H44O8.H2O/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3;/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3;1H2/t15?,17?,18?,19?,20?,23-,24-,25-,26-,27-;/m1./s1
C27H46O9514.64871100
57516539
InChI=1/C27H46O9/c1-2-36-27(28)11-7-4-8-12-29-13-14-30-15-16-31-17-18-32-19-20-33-21-22-34-23-24-35-25-26-9-5-3-6-10-26/h3,5-6,9-10H,2,4,7-8,11-25H2,1H3
C27H46O9514.64871100
62392111

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27+/m0/s1
C27H46O9514.64871100
62392112

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m0/s1
C27H46O9514.64871100
62392113

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22+,24-,25-,26-,27-/m1/s1
C27H46O9514.64871100
12

Advertisement