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
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Found 837 results

Search term: C28H31NO6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2139874

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-5-34-24-15-18(9-12-22(24)30)26-25(28(32)35-6-2)16(3)29-21-13-19(14-23(31)27(21)26)17-7-10-20(33-4)11-8-17/h7-12,15,19,26,29-30H,5-6,13-14H2,1-4H3
C28H31NO6477.54884282100
2147827

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-17-24(27(32)35-13-12-34-19-8-6-5-7-9-19)25(18-10-11-23(33-4)21(30)14-18)26-20(29-17)15-28(2,3)16-22(26)31/h5-11,14,25,29-30H,12-13,15-16H2,1-4H3
C28H31NO6477.54884261800
2385602

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-6-35-28(31)25-16(2)29-20-13-18(17-11-12-23(33-4)24(15-17)34-5)14-21(30)27(20)26(25)19-9-7-8-10-22(19)32-3/h7-12,15,18,26,29H,6,13-14H2,1-5H3
C28H31NO6477.54884261800
2385637

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-6-35-22-10-8-7-9-19(22)26-25(28(31)34-5)16(2)29-20-13-18(14-21(30)27(20)26)17-11-12-23(32-3)24(15-17)33-4/h7-12,15,18,26,29H,6,13-14H2,1-5H3
C28H31NO6477.54884251700
2385736

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-6-35-20-9-7-8-18(12-20)26-25(28(31)34-5)16(2)29-21-13-19(14-22(30)27(21)26)17-10-11-23(32-3)24(15-17)33-4/h7-12,15,19,26,29H,6,13-14H2,1-5H3
C28H31NO6477.54884251800
292500

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31NO6/c1-29(16-18-8-6-7-9-22(18)30)21-12-10-17-14-25(33-3)27(34-4)28(35-5)26(17)19-11-13-24(32-2)23(31)15-20(19)21/h6-9,11,13-15,21,30H,10,12,16H2,1-5H3/t21-/m0/s1
C28H31NO6477.5488252000
2139010

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-17-25(28(31)35-13-12-32-2)26(21-16-20(33-3)10-11-24(21)34-4)27-22(29-17)14-19(15-23(27)30)18-8-6-5-7-9-18/h5-11,16,19,26,29H,12-15H2,1-4H3
C28H31NO6477.54884241600
2139241

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-15(2)35-28(32)25-16(3)29-21-12-19(17-6-9-20(33-4)10-7-17)13-23(31)27(21)26(25)18-8-11-22(30)24(14-18)34-5/h6-11,14-15,19,26,29-30H,12-13H2,1-5H3
C28H31NO6477.54884241800
2140237

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-17-25(28(31)35-14-13-32-2)26(21-7-5-6-8-24(21)34-4)27-22(29-17)15-19(16-23(27)30)18-9-11-20(33-3)12-10-18/h5-12,19,26,29H,13-16H2,1-4H3
C28H31NO6477.54884241600
2385713

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-6-35-20-10-7-17(8-11-20)26-25(28(31)34-5)16(2)29-21-13-19(14-22(30)27(21)26)18-9-12-23(32-3)24(15-18)33-4/h7-12,15,19,26,29H,6,13-14H2,1-5H3
C28H31NO6477.54884241700
2376216

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-18-25(28(31)34-15-14-32-2)26(27-21(29-18)10-7-11-22(27)30)20-12-13-23(24(16-20)33-3)35-17-19-8-5-4-6-9-19/h4-6,8-9,12-13,16,26,29H,7,10-11,14-15,17H2,1-3H3
C28H31NO6477.54884241700
2139662

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-17-25(28(31)35-13-12-32-2)26(19-6-5-7-22(14-19)34-4)27-23(29-17)15-20(16-24(27)30)18-8-10-21(33-3)11-9-18/h5-11,14,20,26,29H,12-13,15-16H2,1-4H3
C28H31NO6477.54884241700
2147655

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-17-25(28(31)35-14-13-18-9-6-5-7-10-18)26(27-20(29-17)11-8-12-21(27)30)19-15-23(33-3)24(34-4)16-22(19)32-2/h5-7,9-10,15-16,26,29H,8,11-14H2,1-4H3
C28H31NO6477.54884241800
2141501

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-17-24(27(32)35-13-12-34-19-8-6-5-7-9-19)25(18-10-11-21(30)23(14-18)33-4)26-20(29-17)15-28(2,3)16-22(26)31/h5-11,14,25,29-30H,12-13,15-16H2,1-4H3
C28H31NO6477.54884231700
2141784

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-17-24(28(31)35-14-13-18-9-6-5-7-10-18)25(26-20(29-17)11-8-12-21(26)30)19-15-22(32-2)27(34-4)23(16-19)33-3/h5-7,9-10,15-16,25,29H,8,11-14H2,1-4H3
C28H31NO6477.54884231700
2139381

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-6-35-28(31)25-16(2)29-21-13-19(17-7-10-20(32-3)11-8-17)14-22(30)27(21)26(25)18-9-12-23(33-4)24(15-18)34-5/h7-12,15,19,26,29H,6,13-14H2,1-5H3
C28H31NO6477.54884231600
8272109

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-/t25-/m1/s1
C28H31NO6477.5488232300
2139092

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H31NO6/c1-17-24(28(31)35-14-13-32-2)25(20-11-8-12-23(33-3)27(20)34-4)26-21(29-17)15-19(16-22(26)30)18-9-6-5-7-10-18/h5-12,19,25,29H,13-16H2,1-4H3
C28H31NO6477.54884221800
2144878

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-16-24(27(32)35-15-17-6-9-19(33-4)10-7-17)25(18-8-11-23(34-5)21(30)12-18)26-20(29-16)13-28(2,3)14-22(26)31/h6-12,25,29-30H,13-15H2,1-5H3
C28H31NO6477.54884221500
3662885

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31NO6/c1-5-34-28(31)25-17(2)29-22-7-6-8-23(30)27(22)26(25)18-9-10-19(24(15-18)33-4)16-35-21-13-11-20(32-3)12-14-21/h9-15,26,29H,5-8,16H2,1-4H3
C28H31NO6477.54884221400
12345

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