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 4 results

Search term: LPRJKEYEZOKENY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9810358

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H34O8/c1-42-32-20-30(40)33(35(41)34(32)29(39)17-7-22-4-12-26(37)13-5-22)24-18-28(16-6-21-2-10-25(36)11-3-21)43-31(19-24)23-8-14-27(38)15-9-23/h2-5,7-15,17,20,24,28,31,36-38,40-41H,6,16,18-19H2,1H3/b17-7+/t24-,28+,31+/m1/s1
C35H34O8582.63977600
23327634

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H34O8/c1-42-32-20-30(40)33(35(41)34(32)29(39)17-7-22-4-12-26(37)13-5-22)24-18-28(16-6-21-2-10-25(36)11-3-21)43-31(19-24)23-8-14-27(38)15-9-23/h2-5,7-15,17,20,24,28,31,36-38,40-41H,6,16,18-19H2,1H3/b17-7+/t24-,28+,31-/m1/s1
C35H34O8582.63972200
8613675

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C35H34O8/c1-42-32-20-30(40)33(35(41)34(32)29(39)17-7-22-4-12-26(37)13-5-22)24-18-28(16-6-21-2-10-25(36)11-3-21)43-31(19-24)23-8-14-27(38)15-9-23/h2-5,7-15,17,20,24,28,31,36-38,40-41H,6,16,18-19H2,1H3/b17-7+/t24-,28+,31?/m1/s1
C35H34O8582.63972100
28283307

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C35H34O8/c1-42-32-20-30(40)33(35(41)34(32)29(39)17-7-22-4-12-26(37)13-5-22)24-18-28(16-6-21-2-10-25(36)11-3-21)43-31(19-24)23-8-14-27(38)15-9-23/h2-5,7-15,17,20,24,28,31,36-38,40-41H,6,16,18-19H2,1H3/b17-7+/t24?,28?,31-/m0/s1
C35H34O8582.63971100

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