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 38 results

Search term: DWKPZOZZBLWFJX (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29137

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2
C40H74CaO14S2883.215160000001151778251
34986438

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17-,18+;16-,17-,18-;/m11./s1
C40H74CaO14S2883.21521100
34986439

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17-,18+;/m10./s1
C40H74CaO14S2883.21521100
34986440

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17-,18-;/m11./s1
C40H74CaO14S2883.21521100
34986441

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17-,18-;/m00./s1
C40H74CaO14S2883.21521100
34986442

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17-,18-;/m01./s1
C40H74CaO14S2883.21521100
34986443

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18-;16-,17-,18+;/m10./s1
C40H74CaO14S2883.21521100
34986444

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17-,18-;/m10./s1
C40H74CaO14S2883.21521100
34986445

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17-,18-;/m11./s1
C40H74CaO14S2883.21521100
34986446

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17-,18-;/m00./s1
C40H74CaO14S2883.21521100
34986447

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17-,18-;/m10./s1
C40H74CaO14S2883.21521100
34986448

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17+,18+;/m00./s1
C40H74CaO14S2883.21521100
34986449

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17+,18+;/m11./s1
C40H74CaO14S2883.21521100
34986450

Charge
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t2*16-,17+,18+;/m10./s1
C40H74CaO14S2883.21521100
34986451

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18-;16-,17-,18+;/m01./s1
C40H74CaO14S2883.21521100
34986452

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18-;16-,17-,18-;/m11./s1
C40H74CaO14S2883.21521100
34986453

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18-;16-,17-,18-;/m00./s1
C40H74CaO14S2883.21521100
34986454

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17+,18-;/m01./s1
C40H74CaO14S2883.21521100
34986455

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17+,18-;/m10./s1
C40H74CaO14S2883.21521100
34986456

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/t16-,17+,18+;16-,17+,18-;/m11./s1
C40H74CaO14S2883.21521100
12

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