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 6 results

Search term: NMTNFTPLDSEWKL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58139685

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3/b15-13+,20-16+,25-17-/t21-,26-,27+,28-,30-,33+/m0/s1
C33H40O7548.6665101100
57256902

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3/b15-13+,20-16-,25-17+/t21-,26-,27+,28-,30-,33+/m0/s1
C33H40O7548.66658400
82965115

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3/b15-13+,20-16+,25-17-/t21-,26-,27+,28-,30-,33+/m1/s1
C33H40O7548.66653300
24610812

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3/b15-13+,20-16+,25-17+/t21-,26-,27+,28-,30-,33+/m0/s1
C33H40O7548.66652200
113609923

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3/b15-13+,20-16-,25-17+/t21-,26+,27+,28-,30+,33-/m0/s1
C33H40O7548.66651100
114642649

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3/b15-13+,20-16+,25-17-/t21-,26-,27-,28-,30-,33+/m0/s1
C33H40O7548.66651100

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