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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 15 results

Search term: VSUODASNSRJNCP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10254821

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22+,23+,24?,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.663711700
21781495

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21?,22?,23+,24-,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66376500
2978251

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3
C30H42N2O7542.66367999999941000
4475435

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21?,22+,23?,24?,25?,27-,28+,29?,30+/m1/s1
C30H42N2O7542.66372200
8522763

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21?,22+,23+,24?,25+,27+,28+,29+,30+/m1/s1
C30H42N2O7542.66372100
23339183

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66372200
28942728

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21?,22?,23+,24?,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66372200
140130

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20-,21+,22+,23-,24?,25-,27+,28-,29?,30-/m0/s1
C30H42N2O7542.66372200
64849406

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22?,23+,24?,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66371100
81423662

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22+,23+,24-,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66371100
95504603

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21-,22+,23+,24?,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66371100
113598672

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22+,23+,24?,25+,27-,28+,29+,30+/m0/s1
C30H42N2O7542.66371100
21250823

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23+,24?,25+,27-,28+,29?,30+/m1/s1
C30H42N2O7542.66371100
21472312

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21+,22+,23+,24?,25+,27-,28+,29+,30+/m1/s1
C30H42N2O7542.66371100

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