3,4,5-triacetyloxy-6-(4-aminophenyl)sulfanyloxy-oxane-2-carboxylic acid

Systemtic Name: 3,4,5-triacetyloxy-6-(4-aminophenyl)sulfanyloxy-oxane-2-carboxylic acid Openeye Name: 3,4,5-triacetoxy-6-(4-aminophenyl)sulfanyloxy-tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-triacetyloxy-6-[(4-aminophenyl)thio]oxy-2-oxanecarboxylic acid IUPAC Name: 3,4,5-triacetyloxy-6-(4-aminophenyl)sulfanyloxyoxane-2-carboxylic acid Traditional Name: 3,4,5-triacetoxy-6-[(4-aminophenyl)thio]oxy-tetrahydropyran-2-carboxylic acid Formula: C18H21NO10S MolecularWeight: 443.42504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OSC2=CC=C(C=C2)N)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)OSC2=CC=C(C=C2)N)C(=O)O)OC(=O)C

InChI

InChI=1S/C18H21NO10S/c1-8(20)25-13-14(26-9(2)21)16(27-10(3)22)18(28-15(13)17(23)24)29-30-12-6-4-11(19)5-7-12/h4-7,13-16,18H,19H2,1-3H3,(H,23,24)