butanedioic acid; 1-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-4-phenyl-piperidine

Systemtic Name: butanedioic acid; 1-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-4-phenyl-piperidine Openeye Name: 1-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenyl-piperidine; succinic acid CAS Name: butanedioic acid; 1-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-4-phenylpiperidine IUPAC Name: butanedioic acid; 1-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenylpiperidine Traditional Name: 1-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenyl-piperidine; succinic acid Formula: C31H32ClNO4S MolecularWeight: 550.10808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCC=C3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CC/C=C\3/C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C27H26ClNS.C4H6O4/c28-22-12-13-27-25(19-22)23(24-9-4-5-11-26(24)30-27)10-6-16-29-17-14-21(15-18-29)20-7-2-1-3-8-20;5-3(6)1-2-4(7)8/h1-5,7-13,19,21H,6,14-18H2;1-2H2,(H,5,6)(H,7,8)/b23-10-;