3-azanyl-5-[3-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-[3-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-amino-5-[3-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-oxo-propyl]-2-hydroxy-benzenesulfonic acid CAS Name: 3-amino-5-[3-[2,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-oxopropyl]-2-hydroxybenzenesulfonic acid IUPAC Name: 3-amino-5-[3-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-oxopropyl]-2-hydroxybenzenesulfonic acid Traditional Name: 3-amino-5-[3-[2,4-dihydroxy-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-phenyl]-3-keto-propyl]-2-hydroxy-besylic acid Formula: C21H25NO13S MolecularWeight: 531.4871

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1N)O)S(=O)(=O)O)CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O

Isomeric SMILES

C1=C(C=C(C(=C1N)O)S(=O)(=O)O)CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O

InChI

InChI=1S/C21H25NO13S/c22-10-3-8(4-15(17(10)27)36(31,32)33)1-2-11(25)16-12(26)5-9(24)6-13(16)34-21-20(30)19(29)18(28)14(7-23)35-21/h3-6,14,18-21,23-24,26-30H,1-2,7,22H2,(H,31,32,33)