2-[(4aS,8aS)-3-diethoxyphosphoryloxy-8-oxidanylidene-4,4a,5,8a-tetrahydro-1H-naphthalen-1-yl]ethyl benzoate

Systemtic Name: 2-[(4aS,8aS)-3-diethoxyphosphoryloxy-8-oxidanylidene-4,4a,5,8a-tetrahydro-1H-naphthalen-1-yl]ethyl benzoate Openeye Name: 2-[(4aS,8aS)-3-diethoxyphosphoryloxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalen-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[(4aS,8aS)-3-diethoxyphosphoryloxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalen-1-yl]ethyl ester IUPAC Name: 2-[(4aS,8aS)-3-diethoxyphosphoryloxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalen-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(4aS,8aS)-3-diethoxyphosphoryloxy-8-keto-4,4a,5,8a-tetrahydro-1H-naphthalen-1-yl]ethyl ester Formula: C23H29O7P MolecularWeight: 448.445921

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=CC(C2C(C1)CC=CC2=O)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOP(=O)(OCC)OC1=CC([C@@H]2[C@H](C1)CC=CC2=O)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29O7P/c1-3-28-31(26,29-4-2)30-20-15-18-11-8-12-21(24)22(18)19(16-20)13-14-27-23(25)17-9-6-5-7-10-17/h5-10,12,16,18-19,22H,3-4,11,13-15H2,1-2H3/t18-,19?,22-/m0/s1