butane; 2-(4-chlorophenyl)butanedioate; 2-phenylbutanedioate

Systemtic Name: butane; 2-(4-chlorophenyl)butanedioate; 2-phenylbutanedioate Openeye Name: butane; 2-(4-chlorophenyl)butanedioate; 2-phenylbutanedioate CAS Name: butane; 2-(4-chlorophenyl)butanedioate; 2-phenylbutanedioate IUPAC Name: butane; 2-(4-chlorophenyl)butanedioate; 2-phenylbutanedioate Traditional Name: 2-(4-chlorophenyl)succinate; n-butane; 2-phenylsuccinate Formula: C28H35ClO8-4 MolecularWeight: 535.0257

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.C1=CC=C(C=C1)C(CC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(CC(=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

CCCC.CCCC.C1=CC=C(C=C1)C(CC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(CC(=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C10H9ClO4.C10H10O4.2C4H10/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13;11-9(12)6-8(10(13)14)7-4-2-1-3-5-7;2*1-3-4-2/h1-4,8H,5H2,(H,12,13)(H,14,15);1-5,8H,6H2,(H,11,12)(H,13,14);2*3-4H2,1-2H3/p-4