4-(2-methoxy-2-oxidanylidene-ethyl)naphthalene-1-sulfonic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)naphthalene-1-sulfonic acid Openeye Name: 4-(2-methoxy-2-oxo-ethyl)naphthalene-1-sulfonic acid CAS Name: 4-(2-methoxy-2-oxoethyl)-1-naphthalenesulfonic acid IUPAC Name: 4-(2-methoxy-2-oxoethyl)naphthalene-1-sulfonic acid Traditional Name: 4-(2-keto-2-methoxy-ethyl)naphthalene-1-sulfonic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)O

Isomeric SMILES

COC(=O)CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)O

InChI

InChI=1S/C13H12O5S/c1-18-13(14)8-9-6-7-12(19(15,16)17)11-5-3-2-4-10(9)11/h2-7H,8H2,1H3,(H,15,16,17)