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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 45 results

Search term: C28H41NO7 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22875194

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C28H41NO7/c1-7-29-13-26(5)9-8-22(34-14(2)30)28-18-10-17-20(33-6)12-27(36-16(4)32,19(25(28)29)11-21(26)28)23(18)24(17)35-15(3)31/h17-25H,7-13H2,1-6H3/t17-,18-,19+,20+,21-,22+,23?,24+,25?,26+,27+,28-/m1/s1
C28H41NO7503.62767300
31150686

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H41NO7/c1-19(13-9-7-5-3-4-6-8-10-16-26(31)32)34-28-24(30)17-25(20(2)35-28)36-27(33)22-18-29-23-15-12-11-14-21(22)23/h11-12,14-15,18-20,24-25,28-30H,3-10,13,16-17H2,1-2H3,(H,31,32)/t19-,20+,24-,25-,28-/m1/s1
C28H41NO7503.62765600
58196546

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H41NO7/c1-18(9-7-5-6-8-10-24(31)16-27(34)35)28(36)20(3)15-19(2)25(32)17-26(33)22-11-13-23(14-12-22)29-21(4)30/h5-14,18-20,24-26,28,31-33,36H,15-17H2,1-4H3,(H,29,30)(H,34,35)/b6-5+,9-7+,10-8+/t18-,19-,20-,24+,25-,26-,28-/m1/s1
C28H41NO7503.62764400
13166179

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H41NO7/c1-20(17-35-18-22-8-12-24(31-4)13-9-22)16-21(2)26(27(33-6)28(30)29(3)34-7)36-19-23-10-14-25(32-5)15-11-23/h8-15,20-21,26-27H,16-19H2,1-7H3/t20-,21+,26-,27-/m0/s1
C28H41NO7503.62764400
4439664

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C28H41NO7/c1-16(2)21-11-18-12-27(15-30)20-8-7-17(3)19(20)13-26(18,28(21,27)23(32)33)9-10-35-22(31)14-29-24(34)36-25(4,5)6/h11,15-20H,7-10,12-14H2,1-6H3,(H,29,34)(H,32,33)/t17-,18?,19?,20?,26?,27?,28?/m1/s1
C28H41NO7503.627643300
58112408

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H41NO7/c1-17(7-10-23-13-18(2)14-24(36-23)16-28(32)33)8-11-26-19(3)15-25(21(5)35-26)29-27(31)12-9-20(4)34-22(6)30/h7-10,12,19-21,23-26H,2,11,13-16H2,1,3-6H3,(H,29,31)(H,32,33)/b10-7+,12-9-,17-8+/t19-,20-,21+,23+,24-,25+,26-/m0/s1
C28H41NO7503.62763300
5045322

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H41NO7/c1-6-35-26(31)23-20-16-19(11-12-22(30)29-18(2)10-9-13-27(3,4)32)17-21(34-5)24(20)36-25(23)28(33)14-7-8-15-28/h16-18,32-33H,6-15H2,1-5H3,(H,29,30)
C28H41NO7503.62762100
8024678

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C28H41NO7/c1-16(2)22-8-19-9-26(14-30)21-7-6-17(3)20(21)10-27(19,28(22,26)25(32)33)15-35-24-12-29(11-18(4)36-24)23(31)13-34-5/h8,14,16-21,24H,6-7,9-13,15H2,1-5H3,(H,32,33)/t17-,18-,19?,20?,21?,24-,26+,27?,28?/m1/s1
C28H41NO7503.62762100
8293519

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H41NO7/c1-16-10-9-11-17(2)25(32)19(4)27(33)28(6,7)23(30)14-24(31)36-26(22(12-16)34-8)18(3)13-21-15-35-20(5)29-21/h9-10,12-13,15,17,19,22-23,25-26,30,32H,11,14H2,1-8H3/b10-9+,16-12-,18-13+/t17-,19+,22-,23-,25-,26+/m0/s1
C28H41NO7503.62762100
8361040

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C28H41NO7/c1-18-6-7-24-27(4,10-8-25(36-20(3)31)28(24,5)17-35-19(2)30)22(18)16-23(21-9-13-34-26(21)32)29-11-14-33-15-12-29/h9,22-25H,1,6-8,10-17H2,2-5H3/t22-,23?,24?,25+,27+,28-/m0/s1
C28H41NO7503.62762100
8382888

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H41NO7/c1-17(2)8-11-23-27(5,36-23)26-25(32-7)21(12-13-28(26)16-33-28)35-24(30)15-29-19-9-10-20(31-6)22(14-19)34-18(3)4/h8-10,14,18,21,23,25-26,29H,11-13,15-16H2,1-7H3/t21-,23-,25-,26-,27-,28+/m1/s1
C28H41NO7503.62762100
8476264

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H41NO7/c1-8-9-22-26(32)19(4)34-13-12-17(2)10-11-23(18(3)14-21-16-35-20(5)29-21)36-25(31)15-24(30)28(6,7)27(22)33/h8,10,14,16,19,22-24,26,30,32H,1,9,11-13,15H2,2-7H3/b17-10-,18-14+/t19-,22-,23+,24+,26-/m1/s1
C28H41NO7503.62762100
8544257

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C28H41NO7/c1-5-7-10-13-21(36-20(3)30)16-17-22-23(14-11-8-9-12-15-27(32)34-4)26(31)18-24(22)25(19-29)28(33)35-6-2/h8,11,16-17,21-25H,5-7,9-10,12-15,18H2,1-4H3/b11-8-,17-16+/t21-,22+,23+,24+,25?/m0/s1
C28H41NO7503.62762100
8704885

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H41NO7/c1-31-15-17-33-22-35-19-26-13-14-27(20-36-23-34-18-16-32-2)29(26)21-28(30,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,26-27,30H,13-23H2,1-2H3/t26-,27-/m1/s1
C28H41NO7503.62762100
9235369

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H41NO7/c1-15(30)35-18-8-10-26(3)17(12-18)6-7-21-20(26)9-11-27(4)24(19-13-23(32)29(5)25(19)33)22(36-16(2)31)14-28(21,27)34/h13,17-18,20-22,24-25,33-34H,6-12,14H2,1-5H3/t17-,18+,20+,21-,22+,24+,25-,26+,27-,28+/m1/s1
C28H41NO7503.62762100
9715421

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C28H41NO7/c1-14(8-19-13-34-17(4)29-19)21-10-23-28(7,36-23)12-18-9-20(18)15(2)25(32)16(3)26(33)27(5,6)22(30)11-24(31)35-21/h8,13,15-16,18,20-23,25,30,32H,9-12H2,1-7H3/b14-8+/t15-,16+,18?,20?,21+,22-,23?,25-,28?/m0/s1
C28H41NO7503.62762100
3641294

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C28H41NO7/c1-7-29-13-26(5)9-8-22(34-14(2)30)28-18-10-17-20(33-6)12-27(36-16(4)32,19(25(28)29)11-21(26)28)23(18)24(17)35-15(3)31/h17-25H,7-13H2,1-6H3
C28H41NO7503.627642100
24664293

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H41NO7/c1-13(2)21(29-8)25(33)35-24-15(4)27(34)19-9-14(3)22(32)18(19)10-17(12-30)11-20(27)23-26(6,7)28(23,24)36-16(5)31/h9,11,13,15,18-21,23-24,29-30,34H,10,12H2,1-8H3/t15-,18-,19-,20+,21+,23-,24-,27+,28-/m1/s1
C28H41NO7503.62762200
76773121

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C28H41NO7/c1-32-11-12-33-13-14-34-15-16-35-22-7-8-28(31)23-17-20-5-6-21(30)25-24(20)27(28,26(22)36-25)9-10-29(23)18-19-3-2-4-19/h5-6,19,22-23,26,30-31H,2-4,7-18H2,1H3/t22-,23+,26?,27-,28+/m0/s1
C28H41NO7503.62762200
34241030

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H37NO2.C2H2O4.H2O/c1-25(2,3)22-15-20(14-13-19-11-9-8-10-12-19)16-23(26(4,5)6)24(22)29-18-21(28)17-27-7;3-1(4)2(5)6;/h8-16,21,27-28H,17-18H2,1-7H3;(H,3,4)(H,5,6);1H2/b14-13+;;
C28H41NO7503.62762200
123

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