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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 374 results

Search term: C30H44O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9959322

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,28-,29-,30+/m1/s1
C30H44O4468.668302500
99834

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
C30H44O4468.668212200
2341331
InChI=1/C30H44O4/c1-27(2,3)19-13-17(14-20(24(19)31)28(4,5)6)23(26(33)34)18-15-21(29(7,8)9)25(32)22(16-18)30(10,11)12/h13-16,23,31-32H,1-12H3,(H,33,34)
C30H44O4468.668212300
24534172

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H44O4/c1-18(2)21-8-10-24-28(6)13-11-22(20(4)23-9-7-19(3)26(33)34-23)27(28,5)15-16-30(24)17-29(21,30)14-12-25(31)32/h7,20-24H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23+,24-,27+,28-,29+,30-/m0/s1
C30H44O4468.668181400
57257203

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H44O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-18,20-22H,8-16H2,1-7H3/t17-,18+,20-,21+,22-,26-,27+,28-,29-,30+/m0/s1
C30H44O4468.668181800
34986255

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H44O4/c1-25(2)20-8-11-30(7)23(28(20,5)10-9-21(25)32)19(31)14-17-18-15-26(3)16-22(34-24(26)33)27(18,4)12-13-29(17,30)6/h14,18,20-23,32H,8-13,15-16H2,1-7H3/t18-,20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1
C30H44O4468.668171600
3254917
InChI=1/C30H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-33-28-19-17-26(18-20-28)30(31)34-29-23-21-27(32-2)22-24-29/h17-24H,3-16,25H2,1-2H3
C30H44O4468.668171200
3785038
InChI=1/C30H44O4/c1-3-5-7-9-10-11-13-15-25-32-27-18-16-26(17-19-27)30(31)34-29-22-20-28(21-23-29)33-24-14-12-8-6-4-2/h16-23H,3-15,24-25H2,1-2H3
C30H44O4468.667960000001171300
28425470

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H44O4/c1-17(2)9-8-10-18-24-22(34-26(18)33)16-30(7)20-15-21(31)25-27(3,4)23(32)12-13-28(25,5)19(20)11-14-29(24,30)6/h9,15,18-19,22-25,32H,8,10-14,16H2,1-7H3/t18-,19+,22+,23+,24-,25+,28-,29+,30-/m1/s1
C30H44O4468.668151000
9617608

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23+,25+,28-,29-,30-/m1/s1
C30H44O4468.668141300
10217082

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H44O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,21-23H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,21-,22+,23+,27-,28+,29-,30+/m1/s1
C30H44O4468.66812900
17466511

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,23?,26+,27-,28-,29+,30+/m0/s1
C30H44O4468.668121000
2382608

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)
C30H44O4468.66796000000111500
23340835

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C30H44O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,22,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-,23-20-/t22-,25+,28-,29+,30-/m0/s1
C30H44O4468.66810700
34966918

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H44O4/c1-18-7-9-22(34-25(18)31)19(2)20-11-13-27(5)21(20)8-10-24-28(27,6)14-12-23-26(3,4)30(32)16-15-29(23,24)17-33-30/h7,20-24,32H,2,8-17H2,1,3-6H3/t20-,21-,22+,23+,24+,27-,28-,29-,30+/m1/s1
C30H44O4468.6689700
3551585

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H44O4/c1-4-6-7-8-9-10-11-12-23-32-27-17-15-26(16-18-27)30(31)34-29-21-19-28(20-22-29)33-24-13-14-25(3)5-2/h15-22,25H,4-14,23-24H2,1-3H3
C30H44O4468.6679600000019900
200163

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,23-,26-,27+,28+,29-,30-/m1/s1
C30H44O4468.6689800
4644712

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C30H44O4/c1-9-11-14-30(25(33)34-10-2,17-19-21-12-15-28(7,23(19)31)26(21,3)4)18-20-22-13-16-29(8,24(20)32)27(22,5)6/h17-18,21-22H,9-16H2,1-8H3/b19-17-,20-18-
C30H44O4468.6688600
4644713

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C30H44O4/c1-10-34-25(33)30(15-18(2)3,16-19-21-11-13-28(8,23(19)31)26(21,4)5)17-20-22-12-14-29(9,24(20)32)27(22,6)7/h16-18,21-22H,10-15H2,1-9H3/b19-16-,20-17-
C30H44O4468.6688600
4982848
InChI=1/C30H44O4/c1-19(2)11-15-29(16-12-20(3)4)26(32)24(25(31)23(9)10)27(33)30(28(29)34,17-13-21(5)6)18-14-22(7)8/h11-14,23,32H,15-18H2,1-10H3
C30H44O4468.6688800
12345

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