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 7 results

Search term: XBHXKOIZLLIIKT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7792950

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3/b21-16+
C27H30N4O5S522.6159151000
4724746

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3/b21-16-
C27H30N4O5S522.615910800
2785714

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3
C27H30N4O5S522.61594100
1406092

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3/b21-16+/t24-/m0/s1
C27H30N4O5S522.61592100
1406095

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3/b21-16+/t24-/m1/s1
C27H30N4O5S522.61592100
1406091

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3/p+1/b21-16+/t24-/m0/s1
C27H31N4O5S523.62331100
1406094

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)19-8-6-7-9-20(19)34-4)25(32)21(37-27)16-18-10-11-22(36-18)30-14-12-29(3)13-15-30/h6-11,16,24H,5,12-15H2,1-4H3/p+1/b21-16+/t24-/m1/s1
C27H31N4O5S523.62331100

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