(4-chloranyl-4-ethoxy-2-oxidanyl-cyclohexa-2,5-dien-1-yl)-phenyl-methanone; (4-ethoxy-2-oxidanyl-4-propoxy-cyclohexa-2,5-dien-1-yl)-phenyl-methanone

Systemtic Name: (4-chloranyl-4-ethoxy-2-oxidanyl-cyclohexa-2,5-dien-1-yl)-phenyl-methanone; (4-ethoxy-2-oxidanyl-4-propoxy-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Openeye Name: (4-chloro-4-ethoxy-2-hydroxy-cyclohexa-2,5-dien-1-yl)-phenyl-methanone; (4-ethoxy-2-hydroxy-4-propoxy-cyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (4-chloro-4-ethoxy-2-hydroxy-1-cyclohexa-2,5-dienyl)-phenylmethanone; (4-ethoxy-2-hydroxy-4-propoxy-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (4-chloro-4-ethoxy-2-hydroxycyclohexa-2,5-dien-1-yl)-phenylmethanone; (4-ethoxy-2-hydroxy-4-propoxycyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (4-chloro-4-ethoxy-2-hydroxy-cyclohexa-2,5-dien-1-yl)-phenyl-methanone; (4-ethoxy-2-hydroxy-4-propoxy-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C33H37ClO7 MolecularWeight: 581.09568

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C=CC(C(=C1)O)C(=O)C2=CC=CC=C2)OCC.CCOC1(C=CC(C(=C1)O)C(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCOC1(C=CC(C(=C1)O)C(=O)C2=CC=CC=C2)OCC.CCOC1(C=CC(C(=C1)O)C(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H22O4.C15H15ClO3/c1-3-12-22-18(21-4-2)11-10-15(16(19)13-18)17(20)14-8-6-5-7-9-14;1-2-19-15(16)9-8-12(13(17)10-15)14(18)11-6-4-3-5-7-11/h5-11,13,15,19H,3-4,12H2,1-2H3;3-10,12,17H,2H2,1H3