(Z)-3-[(4aR,9R,9aR)-9,9a-dihydro-4aH-xanthen-9-yl]-4-oxidanyl-pent-3-en-2-one

Systemtic Name: (Z)-3-[(4aR,9R,9aR)-9,9a-dihydro-4aH-xanthen-9-yl]-4-oxidanyl-pent-3-en-2-one Openeye Name: (Z)-3-[(4aR,9R,9aR)-9,9a-dihydro-4aH-xanthen-9-yl]-4-hydroxy-pent-3-en-2-one CAS Name: (Z)-3-[(4aR,9R,9aR)-9,9a-dihydro-4aH-xanthen-9-yl]-4-hydroxy-3-penten-2-one IUPAC Name: (Z)-3-[(4aR,9R,9aR)-9,9a-dihydro-4aH-xanthen-9-yl]-4-hydroxypent-3-en-2-one Traditional Name: (Z)-3-[(4aR,9R,9aR)-9,9a-dihydro-4aH-xanthen-9-yl]-4-hydroxy-pent-3-en-2-one Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1C2C=CC=CC2OC3=CC=CC=C13)C(=O)C)O

Isomeric SMILES

C/C(=C(\[C@@H]1[C@H]2C=CC=C[C@H]2OC3=CC=CC=C13)/C(=O)C)/O

InChI

InChI=1S/C18H18O3/c1-11(19)17(12(2)20)18-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)18/h3-10,13,15,18-19H,1-2H3/b17-11+/t13-,15+,18+/m0/s1