2,2-bis(2-ethylhexyl)hexanedioate; diphenyltin(2+)

Systemtic Name: 2,2-bis(2-ethylhexyl)hexanedioate; diphenyltin(2+) Openeye Name: 2,2-bis(2-ethylhexyl)hexanedioate; diphenyltin(2+) CAS Name: 2,2-bis(2-ethylhexyl)hexanedioate; diphenyltin(2+) IUPAC Name: 2,2-bis(2-ethylhexyl)hexanedioate; diphenyltin(2+) Traditional Name: 2,2-bis(2-ethylhexyl)adipate; diphenyltin(2+) Formula: C34H50O4Sn MolecularWeight: 641.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CC(CCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

InChI

InChI=1S/C22H42O4.2C6H5.Sn/c1-5-9-12-18(7-3)16-22(21(25)26,15-11-14-20(23)24)17-19(8-4)13-10-6-2;2*1-2-4-6-5-3-1;/h18-19H,5-17H2,1-4H3,(H,23,24)(H,25,26);2*1-5H;/q;;;+2/p-2