2-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]decanoic acid

Systemtic Name: 2-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]decanoic acid Openeye Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]decanoic acid CAS Name: 2-[4-[3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]decanoic acid IUPAC Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]decanoic acid Traditional Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazino]capric acid Formula: C30H39ClN2O2S MolecularWeight: 527.16086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)N1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCC(C(=O)O)N1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C30H39ClN2O2S/c1-2-3-4-5-6-7-13-27(30(34)35)33-20-18-32(19-21-33)17-10-12-24-25-11-8-9-14-28(25)36-29-16-15-23(31)22-26(24)29/h8-9,11-12,14-16,22,27H,2-7,10,13,17-21H2,1H3,(H,34,35)