3-(1-adamantyl)-4-iodanyl-4-(2-methoxyphenyl)-3-[(E)-prop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-4-iodanyl-4-(2-methoxyphenyl)-3-[(E)-prop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-(1-adamantyl)-4-iodo-4-(2-methoxyphenyl)-3-[(E)-prop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-(1-adamantyl)-4-iodo-4-(2-methoxyphenyl)-3-[(E)-prop-1-enoxy]-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-(1-adamantyl)-4-iodo-4-(2-methoxyphenyl)-3-[(E)-prop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-(1-adamantyl)-4-iodo-4-(2-methoxyphenyl)-3-[(E)-prop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid Formula: C27H31IO4 MolecularWeight: 546.43711

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC1(C=C(C=CC1(C2=CC=CC=C2OC)I)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C=C/OC1(C=C(C=CC1(C2=CC=CC=C2OC)I)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31IO4/c1-3-10-32-27(25-14-18-11-19(15-25)13-20(12-18)16-25)17-21(24(29)30)8-9-26(27,28)22-6-4-5-7-23(22)31-2/h3-10,17-20H,11-16H2,1-2H3,(H,29,30)/b10-3+