4-[(E)-2-[6-heptoxy-3,3-dimethyl-1,1-bis(oxidanylidene)-2H-1-benzothiophen-5-yl]prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-[6-heptoxy-3,3-dimethyl-1,1-bis(oxidanylidene)-2H-1-benzothiophen-5-yl]prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-(6-heptoxy-3,3-dimethyl-1,1-dioxo-2H-benzothiophen-5-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(6-heptoxy-3,3-dimethyl-1,1-dioxo-2H-1-benzothiophen-5-yl)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-(6-heptoxy-3,3-dimethyl-1,1-dioxo-2H-1-benzothiophen-5-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(6-heptoxy-1,1-diketo-3,3-dimethyl-2H-benzothiophen-5-yl)prop-1-enyl]benzoate Formula: C27H33O5S- MolecularWeight: 469.61292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1C(=CC3=CC=C(C=C3)C(=O)[O-])C)C(CS2(=O)=O)(C)C

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1/C(=C/C3=CC=C(C=C3)C(=O)[O-])/C)C(CS2(=O)=O)(C)C

InChI

InChI=1S/C27H34O5S/c1-5-6-7-8-9-14-32-24-17-25-23(27(3,4)18-33(25,30)31)16-22(24)19(2)15-20-10-12-21(13-11-20)26(28)29/h10-13,15-17H,5-9,14,18H2,1-4H3,(H,28,29)/p-1/b19-15+