(4-dodecoxyphenyl) (3E,5E)-6-(dimethylamino)-2-oxidanylidene-hexa-3,5-diene-3-sulfinate

Systemtic Name: (4-dodecoxyphenyl) (3E,5E)-6-(dimethylamino)-2-oxidanylidene-hexa-3,5-diene-3-sulfinate Openeye Name: (4-dodecoxyphenyl) (3E,5E)-6-(dimethylamino)-2-oxo-hexa-3,5-diene-3-sulfinate CAS Name: (3E,5E)-6-(dimethylamino)-2-oxo-3-hexa-3,5-dienesulfinic acid IUPAC Name: (4-dodecoxyphenyl) (3E,5E)-6-(dimethylamino)-2-oxohexa-3,5-diene-3-sulfinate Traditional Name: (3E,5E)-6-(dimethylamino)-2-keto-hexa-3,5-diene-3-sulfinic acid (4-lauryloxyphenyl) ester Formula: C26H41NO4S MolecularWeight: 463.67304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OS(=O)C(=CC=CN(C)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OS(=O)/C(=C/C=C/N(C)C)/C(=O)C

InChI

InChI=1S/C26H41NO4S/c1-5-6-7-8-9-10-11-12-13-14-22-30-24-17-19-25(20-18-24)31-32(29)26(23(2)28)16-15-21-27(3)4/h15-21H,5-14,22H2,1-4H3/b21-15+,26-16+