disodium [(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenyl-propyl] phosphate

Systemtic Name: disodium [(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenyl-propyl] phosphate Openeye Name: disodium [(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenyl-propyl] phosphate CAS Name: disodium [(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenylpropyl] phosphate IUPAC Name: disodium [(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenylpropyl] phosphate Traditional Name: disodium [(1R,2S)-2-[[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-amino]-1-phenyl-propyl] phosphate Formula: C30H34NNa2O9P MolecularWeight: 629.545561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OP(=O)([O-])[O-])N(C)C2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC.[Na+].[Na+]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)OP(=O)([O-])[O-])N(C)[C@H]2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC.[Na+].[Na+]

InChI

InChI=1S/C30H36NO9P.2Na/c1-18(28(40-41(33,34)35)19-10-8-7-9-11-19)31(2)23-14-12-20-16-26(37-4)29(38-5)30(39-6)27(20)21-13-15-25(36-3)24(32)17-22(21)23;;/h7-11,13,15-18,23,28H,12,14H2,1-6H3,(H2,33,34,35);;/q;2*+1/p-2/t18-,23-,28-;;/m0../s1