sodium 2,4-dimethyl-6-(naphthalen-1-ylmethyl)benzenesulfonic acid

Systemtic Name: sodium 2,4-dimethyl-6-(naphthalen-1-ylmethyl)benzenesulfonic acid Openeye Name: sodium 2,4-dimethyl-6-(1-naphthylmethyl)benzenesulfonic acid CAS Name: sodium 2,4-dimethyl-6-(1-naphthalenylmethyl)benzenesulfonic acid IUPAC Name: sodium 2,4-dimethyl-6-(naphthalen-1-ylmethyl)benzenesulfonic acid Traditional Name: sodium 2,4-dimethyl-6-(1-naphthylmethyl)besylic acid Formula: C19H18NaO3S+ MolecularWeight: 349.39919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC2=CC=CC3=CC=CC=C32)S(=O)(=O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)CC2=CC=CC3=CC=CC=C32)S(=O)(=O)O)C.[Na+]

InChI

InChI=1S/C19H18O3S.Na/c1-13-10-14(2)19(23(20,21)22)17(11-13)12-16-8-5-7-15-6-3-4-9-18(15)16;/h3-11H,12H2,1-2H3,(H,20,21,22);/q;+1