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 8 results

Search term: VYCOOHAMPRTWAW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28655362

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40+/m1/s1
C43H53N5O5719.91144400
28655908

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40-/m0/s1
C43H53N5O5719.91144400
28657084

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31-,40-/m0/s1
C43H53N5O5719.91144400
28657945

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31-,40+/m1/s1
C43H53N5O5719.91144400
58161087

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40+/m0/s1
C43H53N5O5719.91142200
58161434

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40-/m1/s1
C43H53N5O5719.91142200
58162758

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31-,40-/m1/s1
C43H53N5O5719.91142200
58163161

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H53N5O5/c1-30-26-48(31(2)29-49)43(52)25-35-24-36(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)22-23-39(35)53-40(30)28-47(3)27-32-18-20-34(21-19-32)33-12-6-4-7-13-33/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31-,40+/m0/s1
C43H53N5O5719.91142200

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