3-[(4-aminophenyl)methoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-thiolate

Systemtic Name: 3-[(4-aminophenyl)methoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-thiolate Openeye Name: 3-[(4-aminophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-thiolate CAS Name: 3-[(4-aminophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanethiolate IUPAC Name: 3-[(4-aminophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxane-2-thiolate Traditional Name: 3-(4-aminobenzyl)oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-thiolate Formula: C13H18NO5S- MolecularWeight: 300.35072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2C(C(C(OC2[S-])CO)O)O)N

Isomeric SMILES

C1=CC(=CC=C1COC2C(C(C(OC2[S-])CO)O)O)N

InChI

InChI=1S/C13H19NO5S/c14-8-3-1-7(2-4-8)6-18-12-11(17)10(16)9(5-15)19-13(12)20/h1-4,9-13,15-17,20H,5-6,14H2/p-1