[4-[(E)-3-naphthalen-2-yl-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-3-naphthalen-2-yl-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-3-(2-naphthyl)-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(2-naphthalenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-keto-3-(2-naphthyl)prop-1-enyl]phenyl] ester Formula: C25H17ClO4S MolecularWeight: 448.91808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H17ClO4S/c26-22-10-14-24(15-11-22)31(28,29)30-23-12-5-18(6-13-23)7-16-25(27)21-9-8-19-3-1-2-4-20(19)17-21/h1-17H/b16-7+