ethyl 4-[2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C29H26O2S MolecularWeight: 438.58054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3SC4=CC=CC=C4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3SC4=CC=CC=C4)(C)C

InChI

InChI=1S/C29H26O2S/c1-4-31-28(30)23-15-12-21(13-16-23)10-11-22-14-17-26-25(20-22)27(18-19-29(26,2)3)32-24-8-6-5-7-9-24/h5-9,12-18,20H,4,19H2,1-3H3