3-[3-[4-(diethylamino)phenyl]phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[3-[4-(diethylamino)phenyl]phenoxy]propane-1-sulfonic acid Openeye Name: 3-[3-[4-(diethylamino)phenyl]phenoxy]propane-1-sulfonic acid CAS Name: 3-[3-[4-(diethylamino)phenyl]phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[3-[4-(diethylamino)phenyl]phenoxy]propane-1-sulfonic acid Traditional Name: 3-[3-[4-(diethylamino)phenyl]phenoxy]propane-1-sulfonic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=CC(=CC=C2)OCCCS(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=CC(=CC=C2)OCCCS(=O)(=O)O

InChI

InChI=1S/C19H25NO4S/c1-3-20(4-2)18-11-9-16(10-12-18)17-7-5-8-19(15-17)24-13-6-14-25(21,22)23/h5,7-12,15H,3-4,6,13-14H2,1-2H3,(H,21,22,23)