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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC1C(CCC2=C1C=CC3=C2C=CC4=CC=CC=C43)O

Isomeric SMILES

CCOC(=O)CC(=O)O[C@H]1[C@H](CCC2=C1C=CC3=C2C=CC4=CC=CC=C43)O

InChI

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