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 14 results

Search term: VFGBXFZXJAWPOE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9654157

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20-,21+,22+,23+,24-,26+,27+/m1/s1
C32H57N5O9655.823192100
23165920

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20-,21+,22+,23+,24-,26+,27-/m1/s1
C32H57N5O9655.82312200
23165956

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20+,21+,22-,23-,24+,26-,27+/m0/s1
C32H57N5O9655.82312200
23166253

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20+,21-,22-,23-,24+,26-,27+/m0/s1
C32H57N5O9655.82312200
443985

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20-,21+,22-,23+,24-,26+,27-/m1/s1
C32H57N5O9655.82312200
443988

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20+,21-,22+,23-,24+,26-,27+/m0/s1
C32H57N5O9655.82312200
443989

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20-,21-,22-,23+,24-,26+,27-/m1/s1
C32H57N5O9655.82312200
443990

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20+,21+,22+,23-,24+,26-,27+/m0/s1
C32H57N5O9655.82312200
8637387

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20?,21+,22-,23-,24?,26-,27-/m0/s1
C32H57N5O9655.82312100
9563113

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20-,21+,22-,23+,24-,26+,27+/m1/s1
C32H57N5O9655.82312100
30808894

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20+,21+,22-,23-,24+,26-,27-/m0/s1
C32H57N5O9655.82312200
57261147

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20?,21+,22+,23+,24?,26+,27+/m1/s1
C32H57N5O9655.82312100
59701112

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20?,21+,22+,23-,24+,26+,27+/m1/s1
C32H57N5O9655.82312100
23166254

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)/t19-,20-,21-,22+,23+,24-,26+,27-/m1/s1
C32H57N5O9655.82311100

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