Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Carmine / Cochineal / Carmine red / Natural Red #4 / C.I. 75470 632-55-3, 93062-68-1, 1390-65-4, 1343-78-8, 1390-65-4 14950

Structure Other Information
Canonical SMILES CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
Iso SMILES CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
InChI InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)
InChI Key DGQLVPJVXFOQEV-UHFFFAOYSA-N
Formula C22H20O13
Mol Weight 492.386
XlogP3 0.5
Charge 0

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Synonyms Information
CAS Name 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid
IUPAC Name 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid
Openeye Name 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
Systematic Name 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
Tratitional Name 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid