calcium; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; pentahydrate

Systemtic Name: calcium; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; pentahydrate Openeye Name: calcium; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; pentahydrate CAS Name: calcium; 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid; pentahydrate IUPAC Name: calcium; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; pentahydrate Traditional Name: calcium; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; pentahydrate Formula: C19H26CaClNO9 MolecularWeight: 487.94204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.O.O.O.O.O.[Ca]

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.O.O.O.O.O.[Ca]

InChI

InChI=1S/C19H16ClNO4.Ca.5H2O/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;;;;;/h3-9H,10H2,1-2H3,(H,22,23);;5*1H2