methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oct-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oct-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)oct-1-enyl]benzoate CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)oct-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oct-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)oct-1-enyl]benzoic acid methyl ester Formula: C27H34O2S MolecularWeight: 422.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCCCCC(/C=C/C1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C27H34O2S/c1-5-6-7-8-21(12-9-20-10-13-22(14-11-20)26(28)29-4)23-15-16-25-24(19-23)27(2,3)17-18-30-25/h9-16,19,21H,5-8,17-18H2,1-4H3/b12-9+