3-aminocarbonyl-1-dodecyl-4H-quinoline-4-sulfonic acid; sodium

Systemtic Name: 3-aminocarbonyl-1-dodecyl-4H-quinoline-4-sulfonic acid; sodium Openeye Name: 3-carbamoyl-1-dodecyl-4H-quinoline-4-sulfonic acid; sodium CAS Name: 3-carbamoyl-1-dodecyl-4H-quinoline-4-sulfonic acid; sodium IUPAC Name: 3-carbamoyl-1-dodecyl-4H-quinoline-4-sulfonic acid; sodium Traditional Name: 3-carbamoyl-1-lauryl-4H-quinoline-4-sulfonic acid; sodium Formula: C22H34N2NaO4S MolecularWeight: 445.57113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C(C(C2=CC=CC=C21)S(=O)(=O)O)C(=O)N.[Na]

Isomeric SMILES

CCCCCCCCCCCCN1C=C(C(C2=CC=CC=C21)S(=O)(=O)O)C(=O)N.[Na]

InChI

InChI=1S/C22H34N2O4S.Na/c1-2-3-4-5-6-7-8-9-10-13-16-24-17-19(22(23)25)21(29(26,27)28)18-14-11-12-15-20(18)24;/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H2,23,25)(H,26,27,28);