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: MKEQEKMVTQHVRP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3046777

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)
C32H45N5O3S579.7963999999982100
10057038

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/t19-,20-,24-,26+,28-,32+/m0/s1
C32H45N5O3S579.79642100
10057040

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/t19-,20-,24-,26+,28-,32-/m0/s1
C32H45N5O3S579.79642100
10057042

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/t19-,20-,24+,26+,28-,32+/m0/s1
C32H45N5O3S579.79642100
10057044

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/t19-,20-,24+,26+,28-,32-/m0/s1
C32H45N5O3S579.79642100
10057043

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/p+2/t19-,20-,24+,26+,28-,32-/m0/s1
C32H47N5O3S581.81121100
10057041

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/p+2/t19-,20-,24+,26+,28-,32+/m0/s1
C32H47N5O3S581.81121100
10057039

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/p+2/t19-,20-,24-,26+,28-,32-/m0/s1
C32H47N5O3S581.81121100
10057037

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/p+2/t19-,20-,24-,26+,28-,32+/m0/s1
C32H47N5O3S581.81121100

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