4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxy-(1-hexadecoxypropoxy)-oxidanylidene-phosphanium

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxy-(1-hexadecoxypropoxy)-oxidanylidene-phosphanium Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butanoyloxy-(1-hexadecoxypropoxy)-oxo-phosphonium CAS Name: [4-(1,3-dioxo-2-isoindolyl)-1-oxobutoxy]-(1-hexadecoxypropoxy)-oxophosphonium IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butanoyloxy-(1-hexadecoxypropoxy)-oxophosphanium Traditional Name: 1-cetyloxypropoxy-keto-(4-phthalimidobutanoyloxy)phosphonium Formula: C31H49NO7P+ MolecularWeight: 578.697021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(CC)O[P+](=O)OC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(CC)O[P+](=O)OC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C31H49NO7P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25-37-29(4-2)39-40(36)38-28(33)23-20-24-32-30(34)26-21-17-18-22-27(26)31(32)35/h17-18,21-22,29H,3-16,19-20,23-25H2,1-2H3/q+1