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 7 results

Search term: PDIGSOAOQOXRDU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9931788

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t27-/m1/s1
C28H48NO7P541.657171500
57451317

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+
C28H48NO7P541.6573300
59699353

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+/t27-/m1/s1
C28H48NO7P541.6571100
95735065

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/p+1/b7-6+,10-9+,13-12+,16-15+,19-18+
C28H49NO7P542.66441100
95735066

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/p+1/b7-6-,10-9-,13-12-,16-15-,19-18-
C28H49NO7P542.66441100
107443995

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t27-/m1/s1/i2D3,3D3,4D3
C28H39D9NO7P550.71241100
29789679

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+/t27-/m0/s1
C28H48NO7P541.6571100

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