methyl 3-(7-methoxy-7-oxidanylidene-heptyl)-2-oxidanylidene-4-[(E)-1-phenylsulfanyloct-2-enyl]oxolane-3-carboxylate

Systemtic Name: methyl 3-(7-methoxy-7-oxidanylidene-heptyl)-2-oxidanylidene-4-[(E)-1-phenylsulfanyloct-2-enyl]oxolane-3-carboxylate Openeye Name: methyl 3-(7-methoxy-7-oxo-heptyl)-2-oxo-4-[(E)-1-phenylsulfanyloct-2-enyl]tetrahydrofuran-3-carboxylate CAS Name: 3-(7-methoxy-7-oxoheptyl)-2-oxo-4-[(E)-1-(phenylthio)oct-2-enyl]-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 3-(7-methoxy-7-oxoheptyl)-2-oxo-4-[(E)-1-phenylsulfanyloct-2-enyl]oxolane-3-carboxylate Traditional Name: 2-keto-3-(7-keto-7-methoxy-heptyl)-4-[(E)-1-(phenylthio)oct-2-enyl]tetrahydrofuran-3-carboxylic acid methyl ester Formula: C28H40O6S MolecularWeight: 504.6786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1COC(=O)C1(CCCCCCC(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C(C1COC(=O)C1(CCCCCCC(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C28H40O6S/c1-4-5-6-7-13-18-24(35-22-16-11-10-12-17-22)23-21-34-27(31)28(23,26(30)33-3)20-15-9-8-14-19-25(29)32-2/h10-13,16-18,23-24H,4-9,14-15,19-21H2,1-3H3/b18-13+