4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Formula: C23H26O2S MolecularWeight: 366.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(C=CC(=C2)C(=CC3=CC=C(C=C3)C(=O)O)C)SC1)(C)C

Isomeric SMILES

CC1CC(C2=C(C=CC(=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C)SC1)(C)C

InChI

InChI=1S/C23H26O2S/c1-15-13-23(3,4)20-12-19(9-10-21(20)26-14-15)16(2)11-17-5-7-18(8-6-17)22(24)25/h5-12,15H,13-14H2,1-4H3,(H,24,25)/b16-11+