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 11 results

Search term: ALLVMDCMILIRMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4082310

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)
C21H30N4O3386.4879211100
1500265

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/t15-,16+,17+/m1/s1
C21H30N4O3386.48792100
5030916

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/t15-,16-,17-/m0/s1
C21H30N4O3386.48792100
10065613

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/t15-,16+,17+/m0/s1
C21H30N4O3386.48792100
10065615

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/t15-,16+,17-/m0/s1
C21H30N4O3386.48792100
10065617

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/t15-,16-,17+/m0/s1
C21H30N4O3386.48792100
10065616

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/p+1/t15-,16-,17+/m0/s1
C21H31N4O3387.49531100
10065614

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/p+1/t15-,16+,17-/m0/s1
C21H31N4O3387.49531100
10065612

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/p+1/t15-,16+,17+/m0/s1
C21H31N4O3387.49531100
1500264

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/p+1/t15-,16+,17+/m1/s1
C21H31N4O3387.49531100
5030915

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/p+1/t15-,16-,17-/m0/s1
C21H31N4O3387.49531100

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