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

Systemtic Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oct-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)oct-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)oct-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oct-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)oct-1-enyl]benzoic acid Formula: C26H32O2S MolecularWeight: 408.59608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O2S/c1-4-5-6-7-20(11-8-19-9-12-21(13-10-19)25(27)28)22-14-15-24-23(18-22)26(2,3)16-17-29-24/h8-15,18,20H,4-7,16-17H2,1-3H3,(H,27,28)/b11-8+