(3E)-3-(2-butylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; ethanedioic acid

Systemtic Name: (3E)-3-(2-butylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: (3E)-3-(2-butylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: (3E)-3-(2-butyl-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: (3E)-3-(2-butylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: [(3E)-3-(2-butylthioxanthen-9-ylidene)propyl]-dimethyl-amine; oxalic acid Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=CCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27NS.C2H2O4/c1-4-5-9-17-13-14-22-20(16-17)18(11-8-15-23(2)3)19-10-6-7-12-21(19)24-22;3-1(4)2(5)6/h6-7,10-14,16H,4-5,8-9,15H2,1-3H3;(H,3,4)(H,5,6)/b18-11+;