O1-ethyl O3-[(1R,2S)-1-oxidanyl-1,2,3,4-tetrahydrochrysen-2-yl] propanedioate

Systemtic Name: O1-ethyl O3-[(1R,2S)-1-oxidanyl-1,2,3,4-tetrahydrochrysen-2-yl] propanedioate Openeye Name: O1-ethyl O3-[(1R,2S)-1-hydroxy-1,2,3,4-tetrahydrochrysen-2-yl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[(1R,2S)-1-hydroxy-1,2,3,4-tetrahydrochrysen-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[(1R,2S)-1-hydroxy-1,2,3,4-tetrahydrochrysen-2-yl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[(1R,2S)-1-hydroxy-1,2,3,4-tetrahydrochrysen-2-yl] ester Formula: C23H22O5 MolecularWeight: 378.41778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC1CCC2=C(C1O)C=CC3=C2C=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CC(=O)O[C@H]1CCC2=C([C@H]1O)C=CC3=C2C=CC4=CC=CC=C43

InChI

InChI=1S/C23H22O5/c1-2-27-21(24)13-22(25)28-20-12-11-18-17-8-7-14-5-3-4-6-15(14)16(17)9-10-19(18)23(20)26/h3-10,20,23,26H,2,11-13H2,1H3/t20-,23+/m0/s1