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
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Isotopically Labeled
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Found 354 results

Search term: C28H46O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30996

InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
C28H46O4446.66241062222279
6530
InChI=1/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
C28H46O4446.662497112140
83367

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
C28H46O4446.6624404800
2887313

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H46O4/c1-21(2)9-7-11-23(5)13-15-31-27-17-26(20-30)28(18-25(27)19-29)32-16-14-24(6)12-8-10-22(3)4/h17-24H,7-16H2,1-6H3
C28H46O4446.662440000001282700
2285277
InChI=1/C28H46O4/c1-3-5-7-9-11-12-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-13-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
C28H46O4446.662440000001233000
85804
InChI=1/C28H46O4/c1-3-5-7-9-11-13-15-17-22-31-27(29)25-20-19-21-26(24-25)28(30)32-23-18-16-14-12-10-8-6-4-2/h19-21,24H,3-18,22-23H2,1-2H3
C28H46O4446.6624151500
4420355
InChI=1/C28H46O4/c1-3-5-7-9-11-13-15-17-23-31-27(29)25-19-21-26(22-20-25)28(30)32-24-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-24H2,1-2H3
C28H46O4446.66244000000113900
4478396

Double-bond stereo
InChI=1/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)22-20-25-19-21-26(29)27(24-25)31-2/h19-22,24,29H,3-18,23H2,1-2H3/b22-20+
C28H46O4446.6624131300
4905589

Double-bond stereo
InChI=1/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(30)27(31-3)23(2)25(29)28(24)32-4/h8-9H,5-7,10-22H2,1-4H3/b9-8+
C28H46O4446.662411800
10378883

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
C28H46O4446.66241110100
552843

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24+,25+,26+,27+,28-/m0/s1
C28H46O4446.6624111100
2032174

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C28H46O4/c1-17(2)23-13-7-19(5)15-25(23)31-27(29)21-9-11-22(12-10-21)28(30)32-26-16-20(6)8-14-24(26)18(3)4/h9,17-20,22-26H,7-8,10-16H2,1-6H3
C28H46O4446.66244000000110700
257074
InChI=1/C28H46O4/c1-3-5-7-9-11-13-15-19-23-27(29)31-25-21-17-18-22-26-32-28(30)24-20-16-14-12-10-8-6-4-2/h3-16,19-20,23-26H2,1-2H3
C28H46O4446.662410700
44208862

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O4/c1-6-28(31,7-2)15-16-32-20(4)24-12-13-25-21(9-8-14-27(24,25)5)10-11-22-17-23(29)18-26(30)19(22)3/h10-11,20,23-26,29-31H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24-,25+,26+,27-/m1/s1
C28H46O4446.6624101100
2287738

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H46O4/c1-5-9-11-13-17-23(7-3)21-31-27(29)25-19-15-16-20-26(25)28(30)32-22-24(8-4)18-14-12-10-6-2/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3
C28H46O4446.66244000000191010
469228

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)32-26-23-30-28(31-24-26)25-20-17-16-18-21-25/h16-18,20-21,26,28H,2-15,19,22-24H2,1H3
C28H46O4446.662491500
2032175

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H46O4/c1-17(2)23-13-7-19(5)15-25(23)31-27(29)21-9-11-22(12-10-21)28(30)32-26-16-20(6)8-14-24(26)18(3)4/h9,11,17-26H,7-8,10,12-16H2,1-6H3
C28H46O4446.6624400000019600
2287518

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H46O4/c1-8-12-14-22(10-3)18-31-27(29)25-16-21(7)24(20(5)6)17-26(25)28(30)32-19-23(11-4)15-13-9-2/h16-17,20,22-23H,8-15,18-19H2,1-7H3
C28H46O4446.6624400000018900
17460445

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H46O4/c1-16-6-11-28(31-15-16)18(3)24-23(32-28)13-22-20-12-17(2)27(30)14-19(29)7-10-26(27,5)21(20)8-9-25(22,24)4/h16-24,29-30H,6-15H2,1-5H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-,25-,26+,27-,28+/m0/s1
C28H46O4446.66248600
2303841
InChI=1/C28H46O4/c1-23(2)16-11-7-5-9-13-20-31-27(29)25-18-15-19-26(22-25)28(30)32-21-14-10-6-8-12-17-24(3)4/h15,18-19,22-24H,5-14,16-17,20-21H2,1-4H3
C28H46O4446.6624400000017800
12345

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