sodium 4-(5-chloranyl-2-methyl-indol-1-yl)benzenesulfonate

Systemtic Name: sodium 4-(5-chloranyl-2-methyl-indol-1-yl)benzenesulfonate Openeye Name: sodium 4-(5-chloro-2-methyl-indol-1-yl)benzenesulfonate CAS Name: sodium 4-(5-chloro-2-methyl-1-indolyl)benzenesulfonate IUPAC Name: sodium 4-(5-chloro-2-methylindol-1-yl)benzenesulfonate Traditional Name: sodium 4-(5-chloro-2-methyl-indol-1-yl)besylate Formula: C15H11ClNNaO3S MolecularWeight: 343.76051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C3=CC=C(C=C3)S(=O)(=O)[O-])C=CC(=C2)Cl.[Na+]

Isomeric SMILES

CC1=CC2=C(N1C3=CC=C(C=C3)S(=O)(=O)[O-])C=CC(=C2)Cl.[Na+]

InChI

InChI=1S/C15H12ClNO3S.Na/c1-10-8-11-9-12(16)2-7-15(11)17(10)13-3-5-14(6-4-13)21(18,19)20;/h2-9H,1H3,(H,18,19,20);/q;+1/p-1