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 10 results

Search term: XAJFPZPUIZSONS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2639660

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)
C28H46O5462.66184100
10016076

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/t18?,20?,21?,22?,23?,25?,27-,28-/m1/s1
C28H46O5462.66183100
10119381

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/t18-,20+,21+,22+,23+,25-,27-,28-/m1/s1
C28H46O5462.66182100
10119383

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/t18-,20-,21-,22-,23-,25+,27+,28+/m0/s1
C28H46O5462.66182100
10119385

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/t18-,20+,21-,22+,23+,25-,27-,28-/m1/s1
C28H46O5462.66182100
10119387

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/t18-,20-,21+,22-,23-,25+,27+,28+/m0/s1
C28H46O5462.66182100
10119386

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/p-1/t18-,20-,21+,22-,23-,25+,27+,28+/m0/s1
C28H45O5461.65441100
10119384

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/p-1/t18-,20+,21-,22+,23+,25-,27-,28-/m1/s1
C28H45O5461.65441100
10119382

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/p-1/t18-,20-,21-,22-,23-,25+,27+,28+/m0/s1
C28H45O5461.65441100
10119380

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/p-1/t18-,20+,21+,22+,23+,25-,27-,28-/m1/s1
C28H45O5461.65441100

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