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 5 results

Search term: ANMUHHNQQSBCKT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17467368

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C31H39N3O5/c1-5-7-17-38-18-11-16-33-20-26(35)34-19-23(21-13-10-15-25(37-4)28(21)39-6-2)27-22-12-8-9-14-24(22)32-29(27)31(34,3)30(33)36/h8-10,12-15,23,32H,5-7,11,16-20H2,1-4H3/t23?,31-/m0/s1
C31H39N3O5533.658510700
62326358

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39N3O5/c1-5-7-17-38-18-11-16-33-20-26(35)34-19-23(21-13-10-15-25(37-4)28(21)39-6-2)27-22-12-8-9-14-24(22)32-29(27)31(34,3)30(33)36/h8-10,12-15,23,32H,5-7,11,16-20H2,1-4H3/t23-,31+/m1/s1
C31H39N3O5533.65852200
62503797

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39N3O5/c1-5-7-17-38-18-11-16-33-20-26(35)34-19-23(21-13-10-15-25(37-4)28(21)39-6-2)27-22-12-8-9-14-24(22)32-29(27)31(34,3)30(33)36/h8-10,12-15,23,32H,5-7,11,16-20H2,1-4H3/t23-,31-/m1/s1
C31H39N3O5533.65852200
62637389

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39N3O5/c1-5-7-17-38-18-11-16-33-20-26(35)34-19-23(21-13-10-15-25(37-4)28(21)39-6-2)27-22-12-8-9-14-24(22)32-29(27)31(34,3)30(33)36/h8-10,12-15,23,32H,5-7,11,16-20H2,1-4H3/t23-,31+/m0/s1
C31H39N3O5533.65852200
4019861

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H39N3O5/c1-5-7-17-38-18-11-16-33-20-26(35)34-19-23(21-13-10-15-25(37-4)28(21)39-6-2)27-22-12-8-9-14-24(22)32-29(27)31(34,3)30(33)36/h8-10,12-15,23,32H,5-7,11,16-20H2,1-4H3
C31H39N3O5533.6584599999992100

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