potassium 3-(2-acetyloxyethyl)-4-bromanyl-naphthalene-1-sulfonate

Systemtic Name: potassium 3-(2-acetyloxyethyl)-4-bromanyl-naphthalene-1-sulfonate Openeye Name: potassium 3-(2-acetoxyethyl)-4-bromo-naphthalene-1-sulfonate CAS Name: potassium 3-(2-acetyloxyethyl)-4-bromo-1-naphthalenesulfonate IUPAC Name: potassium 3-(2-acetyloxyethyl)-4-bromonaphthalene-1-sulfonate Traditional Name: potassium 3-(2-acetoxyethyl)-4-bromo-naphthalene-1-sulfonate Formula: C14H12BrKO5S MolecularWeight: 411.30938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)[O-])Br.[K+]

Isomeric SMILES

CC(=O)OCCC1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)[O-])Br.[K+]

InChI

InChI=1S/C14H13BrO5S.K/c1-9(16)20-7-6-10-8-13(21(17,18)19)11-4-2-3-5-12(11)14(10)15;/h2-5,8H,6-7H2,1H3,(H,17,18,19);/q;+1/p-1