(3S,4R)-2-methylidene-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrophenanthrene-3-carboxylic acid

Systemtic Name: (3S,4R)-2-methylidene-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrophenanthrene-3-carboxylic acid Openeye Name: (3S,4R)-2-methylene-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrophenanthrene-3-carboxylic acid CAS Name: (3S,4R)-2-methylene-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrophenanthrene-3-carboxylic acid IUPAC Name: (3S,4R)-2-methylidene-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrophenanthrene-3-carboxylic acid Traditional Name: (3S,4R)-1-keto-2-methylene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrophenanthrene-3-carboxylic acid Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(=C)C(=O)C3=C2C4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C(=C)C(=O)C3=C2C4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H22O6/c1-13-20(25(27)28)21(15-11-18(29-2)24(31-4)19(12-15)30-3)22-16-8-6-5-7-14(16)9-10-17(22)23(13)26/h5-12,20-21H,1H2,2-4H3,(H,27,28)/t20-,21+/m1/s1