4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonic acid

Systemtic Name: 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonic acid Openeye Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]naphthalene-1-sulfonic acid CAS Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-naphthalenesulfonic acid IUPAC Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonic acid Traditional Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]naphthalene-1-sulfonic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)O)O

InChI

InChI=1S/C16H21NO5S/c1-11(2)17-9-12(18)10-22-15-7-8-16(23(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,19,20,21)