ethanedioate; (4-naphthalen-1-yl-1-phenyl-butyl)tin(3+)

Systemtic Name: ethanedioate; (4-naphthalen-1-yl-1-phenyl-butyl)tin(3+) Openeye Name: [4-(1-naphthyl)-1-phenyl-butyl]tin(3+); oxalate CAS Name: [4-(1-naphthalenyl)-1-phenylbutyl]tin(3+); oxalate IUPAC Name: (4-naphthalen-1-yl-1-phenylbutyl)tin(3+); oxalate Traditional Name: [4-(1-naphthyl)-1-phenyl-butyl]tin(3+); oxalate Formula: C42H38O4Sn2+4 MolecularWeight: 844.16872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[Sn+3].C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[Sn+3].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[Sn+3].C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[Sn+3].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H19.C2H2O4.2Sn/c2*1-2-9-17(10-3-1)11-4-5-12-18-14-8-15-19-13-6-7-16-20(18)19;3-1(4)2(5)6;;/h2*1-3,6-11,13-16H,4-5,12H2;(H,3,4)(H,5,6);;/q;;;2*+3/p-2