(2R)-2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; sodium; hydrochloride

Systemtic Name: (2R)-2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; sodium; hydrochloride Openeye Name: (2R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one; 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol; sodium; hydrochloride CAS Name: (2R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone; 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; sodium; hydrochloride IUPAC Name: (2R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyfuran-3-one; 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; sodium; hydrochloride Traditional Name: (2R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one; 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]pyrocatechol; sodium; hydrochloride Formula: C24H32ClNNaO9 MolecularWeight: 536.95495

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.C(C(C1C(=O)C(=C(O1)O)O)O)O.[Na].Cl

Isomeric SMILES

CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.C(C([C@@H]1C(=O)C(=C(O1)O)O)O)O.[Na].Cl

InChI

InChI=1S/C18H23NO3.C6H8O6.ClH.Na/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;7-1-2(8)5-3(9)4(10)6(11)12-5;;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;2,5,7-8,10-11H,1H2;1H;/t;2?,5-;;/m.1../s1