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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 12 results

Search term: LSNBAGMWJRMBEO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736172

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8+,12-9+,15-7+,16-13+/t17-,20+,21-,22-,23-,27+/m1/s1
C27H35NO8501.5687151900
52083139

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8-,12-9-,15-7-,16-13-/t17-,20+,21-,22-,23-,27+/m1/s1
C27H35NO8501.56875400
5293193

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8+,12-9+,15-7-,16-13-/t17-,20+,21-,22-,23-,27+/m1/s1
C27H35NO8501.56873200
11278386

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8+,12-9+,15-7+,16-13+
C27H35NO8501.56873300
64474

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)
C27H35NO8501.56872100
9180798

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8+,12-9+,15-7-,16-13-/t17-,20+,21-,22?,23-,27+/m1/s1
C27H35NO8501.56872100
58172765

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8+,12-9+,15-7?,16-13?/t17-,20+,21-,22-,23-,27+/m1/s1
C27H35NO8501.56871100
79715630

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8-,12-9-,15-7-,16-13-/t17-,20-,21+,22+,23+,27+/m0/s1
C27H35NO8501.56871100
110803761

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8-,12-9-,15-7-,16-13-/t17-,20+,21-,22-,23-,27-/m1/s1
C27H35NO8501.56871100
114815705

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8-,12-9-,15-7+,16-13-/t17-,20+,21-,22-,23-,27+/m1/s1
C27H35NO8501.56871100

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