ethyl 4-[(E)-2-(10,10-dimethyl-6-oxidanyl-9H-phenanthren-3-yl)ethenyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(10,10-dimethyl-6-oxidanyl-9H-phenanthren-3-yl)ethenyl]benzoate Openeye Name: ethyl 4-[(E)-2-(6-hydroxy-10,10-dimethyl-9H-phenanthren-3-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(6-hydroxy-10,10-dimethyl-9H-phenanthren-3-yl)ethenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(6-hydroxy-10,10-dimethyl-9H-phenanthren-3-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(6-hydroxy-10,10-dimethyl-9H-phenanthren-3-yl)vinyl]benzoic acid ethyl ester Formula: C27H26O3 MolecularWeight: 398.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC2=CC3=C(C=C2)C(CC4=C3C=C(C=C4)O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)C(CC4=C3C=C(C=C4)O)(C)C

InChI

InChI=1S/C27H26O3/c1-4-30-26(29)20-10-7-18(8-11-20)5-6-19-9-14-25-24(15-19)23-16-22(28)13-12-21(23)17-27(25,2)3/h5-16,28H,4,17H2,1-3H3/b6-5+