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 68 results

Search term: C31H44O7 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8004083

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.6769395543
32699277

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.6769161400
137124

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)37-29-21-24-26(34)19-23(32)20-28(24)38-31(29)22-16-17-25(33)27(35)18-22/h16-20,29,31-35H,2-15,21H2,1H3/t29-,31+/m0/s1
C31H44O7528.6769141100
8182726

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)37-29-21-24-26(34)19-23(32)20-28(24)38-31(29)22-16-17-25(33)27(35)18-22/h16-20,29,31-35H,2-15,21H2,1H3
C31H44O7528.67698700
8273989

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)37-27-21-23-17-19-25(33)29(36)31(23)38-30(27)22-16-18-24(32)26(34)20-22/h16-20,27,30,32-34,36H,2-15,21H2,1H3/t27-,30+/m1/s1
C31H44O7528.67695400
10130325

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)37-29-21-24-26(34)19-23(32)20-28(24)38-31(29)22-16-17-25(33)27(35)18-22/h16-20,29,31-35H,2-15,21H2,1H3/t29-,31-/m1/s1
C31H44O7528.67695400
10208266

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H44O7/c1-18(2)8-11-26(35-20(4)32)19(3)31-15-14-30(38-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(36-21(5)33)29(30,7)37-31/h12-13,16,18-19,24-27H,8-11,14-15,17H2,1-7H3/t19-,24-,25+,26?,27+,28+,29+,30-,31+/m1/s1
C31H44O7528.67694400
10444762

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-
C31H44O7528.67694200
4950733

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H44O7/c1-7-8-9-10-11-12-13-25(33)38-30-16-20(3)31(36)23(26(30)28(30,5)6)15-22(18-37-21(4)32)17-29(35)24(31)14-19(2)27(29)34/h12-15,20,23-24,26,35-36H,7-11,16-18H2,1-6H3/b13-12+/t20-,23+,24-,26-,29-,30+,31-/m1/s1
C31H44O7528.67694400
9039657

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H44O7/c1-20-13-14-35-24(16-20)11-12-27(34-4)28-19-29-31(38-29)26(32)18-22(3)15-21(2)17-25-9-5-7-23(36-25)8-6-10-30(33)37-28/h5-7,10-13,21,23-29,31-32H,3,8-9,14-19H2,1-2,4H3/b10-6-,12-11+/t21-,23-,24+,25-,26-,27-,28-,29-,31-/m0/s1
C31H44O7528.67694300
9527979

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H44O7/c1-20-13-14-35-24(16-20)11-12-26(32)27-19-29-31(38-29)28(34-4)18-22(3)15-21(2)17-25-9-5-7-23(36-25)8-6-10-30(33)37-27/h5-7,10-13,21,23-29,31-32H,3,8-9,14-19H2,1-2,4H3/b10-6-,12-11+/t21-,23-,24+,25-,26-,27-,28-,29-,31-/m0/s1
C31H44O7528.67694300
9988076

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H44O7/c1-20(10-7-8-11-22(3)18-32)12-9-13-21(2)14-15-25-23(4)16-24(17-31(25,5)6)37-30-29(36)28(35)27(34)26(19-33)38-30/h7-15,18,24,26-30,33-36H,16-17,19H2,1-6H3/b8-7+,12-9+,15-14+,20-10+,21-13+,22-11+/t24-,26-,27-,28+,29-,30-/m1/s1
C31H44O7528.67693200
4941262

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8-/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67693300
34981532

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H44O7/c1-3-26(32)19-15-23-31(36)38-29-20-12-7-11-18-28(34)24-27(33)17-10-6-4-5-9-16-25(2)37-30(35)22-14-8-13-21-29/h4,6-8,10-15,17,19-20,22,25-29,32-34H,3,5,9,16,18,21,23-24H2,1-2H3/b6-4-,11-7-,13-8+,17-10+,19-15+,20-12+,22-14-/t25-,26+,27+,28+,29-/m1/s1
C31H44O7528.67693300
68016393

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H44O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,17,20,22-23,25-26,34H,8,10-15H2,1-7H3,(H,36,37)/b24-19-/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1
C31H44O7528.67693300
17276322

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H44O7/c1-26(2,36)13-12-22(33)31(8,37)24-19(32)15-28(5)21-11-10-17-18(14-20(38-9)25(35)27(17,3)4)30(21,7)23(34)16-29(24,28)6/h10,12-14,18-19,21,24,32,36-37H,11,15-16H2,1-9H3/b13-12+/t18-,19-,21+,24+,28+,29-,30+,31+/m1/s1
C31H44O7528.67693300
30988548

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67693100
10270319

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22,24,36H,9-15H2,1-8H3/t16-,17?,19-,22+,24+,29+,30-,31+/m1/s1
C31H44O7528.67692200
8294712

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C31H44O7/c1-7-8-9-10-11-12-13-14-15-16-26(33)37-28-22(5)19-24(32)17-21(4)18-25(36-30(34)20(2)3)27-23(6)31(35)38-29(27)28/h17,19,25,27-29H,2,6-16,18H2,1,3-5H3/b21-17+,22-19-/t25-,27+,28?,29-/m0/s1
C31H44O7528.67692100
8431877

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-8-17(3)26(34)36-23-24-28(6)13-11-21(33)16-20(28)10-14-30(24)31(38-30)15-12-22(19(5)32)29(31,7)25(23)37-27(35)18(4)9-2/h8-9,20-25,33H,10-16H2,1-7H3/b17-8+,18-9+/t20-,21-,22+,23-,24+,25+,28-,29-,30-,31+/m0/s1
C31H44O7528.67692100
1234

Advertisement