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 19 results

Search term: VBHQKCBVWWUUKN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8105680

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1
C20H31NO4349.4644455900
9363406

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3
C20H31NO4349.46445300
9466009

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17+,18-/m1/s1
C20H31NO4349.46445300
9513094

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17+,18+/m0/s1
C20H31NO4349.46445400
9614365

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m0/s1
C20H31NO4349.46445300
9648370

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17+,18+/m1/s1
C20H31NO4349.46445400
9489049

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17?,18?/m0/s1
C20H31NO4349.46444300
8127727

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17?,18?/m1/s1
C20H31NO4349.46444300
9350603

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18+/m0/s1
C20H31NO4349.46443100
9443127

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18+/m1/s1
C20H31NO4349.46443100
9580280

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17+,18-/m0/s1
C20H31NO4349.46443100
9856537

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16?,17-,18-/m1/s1
C20H31NO4349.46442100
9877756

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16?,17-,18-/m0/s1
C20H31NO4349.46442100
9864327

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1/i1+1,2+1
C1813C2H31NO4351.44971100
9676710

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18?/m1/s1
C20H31NO4349.46441100
9691374

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1/i1+1
C1913CH31NO4350.45711200
9756587

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18+/m1/s1/i1+1
C1913CH31NO4350.45711200
9814385

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18+/m1/s1/i1+1,2+1
C1813C2H31NO4351.44971100

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