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 4 results

Search term: RXDWPJRLNXTQAE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10236991

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+/t25-,28?,29-,30?,31-/m1/s1
C31H44O9560.67574401
8252043

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+
C31H44O9560.67573200
9975670

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+/t25?,28?,29-,30?,31-/m1/s1
C31H44O9560.67572100
129306074

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+/t25-,28-,29-,30+,31-/m1/s1
C31H44O9560.67571100

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