1-chloranyl-4-[2-phenoxyethoxy-(3-phosphorosooxyphenyl)methylidene]adamantane

Systemtic Name: 1-chloranyl-4-[2-phenoxyethoxy-(3-phosphorosooxyphenyl)methylidene]adamantane Openeye Name: 1-chloro-4-[2-phenoxyethoxy-(3-phosphorosooxyphenyl)methylene]adamantane CAS Name: 1-chloro-4-[2-phenoxyethoxy-(3-phosphorosooxyphenyl)methylidene]adamantane IUPAC Name: 1-chloro-4-[2-phenoxyethoxy-(3-phosphorosooxyphenyl)methylidene]adamantane Traditional Name: 1-chloro-4-[2-phenoxyethoxy-(3-phosphorosooxyphenyl)methylene]adamantane Formula: C25H26ClO4P MolecularWeight: 456.898301

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=C(C4=CC(=CC=C4)OP=O)OCCOC5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3=C(C4=CC(=CC=C4)OP=O)OCCOC5=CC=CC=C5)Cl

InChI

InChI=1S/C25H26ClO4P/c26-25-14-17-11-19(15-25)23(20(12-17)16-25)24(18-5-4-8-22(13-18)30-31-27)29-10-9-28-21-6-2-1-3-7-21/h1-8,13,17,19-20H,9-12,14-16H2