hexanedioate; trioctylstannanylium

Systemtic Name: hexanedioate; trioctylstannanylium Openeye Name: hexanedioate; trioctylstannanylium CAS Name: hexanedioate; trioctylstannanylium IUPAC Name: hexanedioate; trioctylstannanylium Traditional Name: adipate; trioctylstannanylium Formula: C54H110O4Sn2 MolecularWeight: 1060.8688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/6C8H17.C6H10O4.2Sn/c6*1-3-5-7-8-6-4-2;7-5(8)3-1-2-4-6(9)10;;/h6*1,3-8H2,2H3;1-4H2,(H,7,8)(H,9,10);;/q;;;;;;;2*+1/p-2