tris[3-(3-methoxyspiro[1,2-dioxetane-4,2'-adamantane]-3-yl)phenyl] phosphate

Systemtic Name: tris[3-(3-methoxyspiro[1,2-dioxetane-4,2'-adamantane]-3-yl)phenyl] phosphate Openeye Name: tris[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate CAS Name: phosphoric acid tris[3-(3'-methoxy-3'-spiro[adamantane-2,4'-dioxetane]yl)phenyl] ester IUPAC Name: tris[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate Traditional Name: phosphoric acid tris[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] ester Formula: C54H63O13P MolecularWeight: 951.043981

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)(OC6=CC=CC(=C6)C7(C8(C9CC1CC(C9)CC8C1)OO7)OC)OC1=CC=CC(=C1)C1(C2(C3CC4CC(C3)CC2C4)OO1)OC

Isomeric SMILES

COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)(OC6=CC=CC(=C6)C7(C8(C9CC1CC(C9)CC8C1)OO7)OC)OC1=CC=CC(=C1)C1(C2(C3CC4CC(C3)CC2C4)OO1)OC

InChI

InChI=1S/C54H63O13P/c1-56-52(49(62-65-52)40-16-31-13-32(18-40)19-41(49)17-31)37-7-4-10-46(28-37)59-68(55,60-47-11-5-8-38(29-47)53(57-2)50(63-66-53)42-20-33-14-34(22-42)23-43(50)21-33)61-48-12-6-9-39(30-48)54(58-3)51(64-67-54)44-24-35-15-36(26-44)27-45(51)25-35/h4-12,28-36,40-45H,13-27H2,1-3H3