4-[1-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoic acid

Systemtic Name: 4-[1-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoic acid Openeye Name: 4-[1-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)vinyl]benzoic acid CAS Name: 4-[1-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoic acid Traditional Name: 4-[1-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]vinyl]benzoic acid Formula: C27H24O2S MolecularWeight: 412.54326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C(C=CC=C21)C(=C)C3=CC=C(C=C3)C(=O)O)SC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C(C=CC=C21)C(=C)C3=CC=C(C=C3)C(=O)O)SC4=CC=CC=C4)C

InChI

InChI=1S/C27H24O2S/c1-18(19-12-14-20(15-13-19)26(28)29)22-10-7-11-23-25(22)24(16-17-27(23,2)3)30-21-8-5-4-6-9-21/h4-16H,1,17H2,2-3H3,(H,28,29)