2,2-bis(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate

Systemtic Name: 2,2-bis(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate Openeye Name: 2,2-bis(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate CAS Name: 2,2-bis(1-butyl-1-cyclohexa-2,4-dienyl)hexanedioate IUPAC Name: 2,2-bis(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate Traditional Name: 2,2-bis(1-butylcyclohexa-2,4-dien-1-yl)adipate Formula: C26H36O4-2 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC=CC=C1)C(CCCC(=O)[O-])(C(=O)[O-])C2(CC=CC=C2)CCCC

Isomeric SMILES

CCCCC1(CC=CC=C1)C(CCCC(=O)[O-])(C(=O)[O-])C2(CC=CC=C2)CCCC

InChI

InChI=1S/C26H38O4/c1-3-5-15-24(17-9-7-10-18-24)26(23(29)30,21-13-14-22(27)28)25(16-6-4-2)19-11-8-12-20-25/h7-12,17,19H,3-6,13-16,18,20-21H2,1-2H3,(H,27,28)(H,29,30)/p-2