ethyl 4-[(E)-2-(5',5'-dimethylspiro[1,3-dithiane-2,8'-6,7-dihydronaphthalene]-2'-yl)ethenyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(5',5'-dimethylspiro[1,3-dithiane-2,8'-6,7-dihydronaphthalene]-2'-yl)ethenyl]benzoate Openeye Name: ethyl 4-[(E)-2-(1',1'-dimethylspiro[1,3-dithiane-2,4'-tetralin]-6'-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5',5'-dimethyl-2'-spiro[1,3-dithiane-2,8'-6,7-dihydronaphthalene]yl)ethenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(5',5'-dimethylspiro[1,3-dithiane-2,8'-6,7-dihydronaphthalene]-2'-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(1',1'-dimethylspiro[1,3-dithiane-2,4'-tetralin]-6'-yl)vinyl]benzoic acid ethyl ester Formula: C26H30O2S2 MolecularWeight: 438.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC2=CC3=C(C=C2)C(CCC34SCCCS4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)C(CCC34SCCCS4)(C)C

InChI

InChI=1S/C26H30O2S2/c1-4-28-24(27)21-11-8-19(9-12-21)6-7-20-10-13-22-23(18-20)26(15-14-25(22,2)3)29-16-5-17-30-26/h6-13,18H,4-5,14-17H2,1-3H3/b7-6+