[(4Z,6E)-2-oxidanylidene-3-(phenylsulfonyl)-1-oxacyclohexadeca-4,6-dien-7-yl] ethanoate

Systemtic Name: [(4Z,6E)-2-oxidanylidene-3-(phenylsulfonyl)-1-oxacyclohexadeca-4,6-dien-7-yl] ethanoate Openeye Name: [(4Z,6E)-3-(benzenesulfonyl)-2-oxo-1-oxacyclohexadeca-4,6-dien-7-yl] acetate CAS Name: acetic acid [(4Z,6E)-3-(benzenesulfonyl)-2-oxo-1-oxacyclohexadeca-4,6-dien-7-yl] ester IUPAC Name: [(4Z,6E)-3-(benzenesulfonyl)-2-oxo-1-oxacyclohexadeca-4,6-dien-7-yl] acetate Traditional Name: acetic acid [(4Z,6E)-3-besyl-2-keto-1-oxacyclohexadeca-4,6-dien-7-yl] ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(C(=O)OCCCCCCCCC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O/C/1=C/C=C\C(C(=O)OCCCCCCCCC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H30O6S/c1-19(24)29-20-13-8-5-3-2-4-6-11-18-28-23(25)22(17-12-14-20)30(26,27)21-15-9-7-10-16-21/h7,9-10,12,14-17,22H,2-6,8,11,13,18H2,1H3/b17-12-,20-14+