octyl (2E,4E)-12-[[(1E,3E)-5-octoxy-5-oxidanylidene-4-(phenylsulfonyl)penta-1,3-dienyl]-(phenylmethyl)amino]-6-(phenylmethyl)-2-(phenylsulfonyl)dodeca-2,4-dienoate

Systemtic Name: octyl (2E,4E)-12-[[(1E,3E)-5-octoxy-5-oxidanylidene-4-(phenylsulfonyl)penta-1,3-dienyl]-(phenylmethyl)amino]-6-(phenylmethyl)-2-(phenylsulfonyl)dodeca-2,4-dienoate Openeye Name: octyl (2E,4E)-2-(benzenesulfonyl)-12-[[(1E,3E)-4-(benzenesulfonyl)-5-octoxy-5-oxo-penta-1,3-dienyl]-benzyl-amino]-6-benzyl-dodeca-2,4-dienoate CAS Name: (2E,4E)-2-(benzenesulfonyl)-12-[[(1E,3E)-4-(benzenesulfonyl)-5-octoxy-5-oxopenta-1,3-dienyl]-(phenylmethyl)amino]-6-(phenylmethyl)dodeca-2,4-dienoic acid octyl ester IUPAC Name: octyl (2E,4E)-2-(benzenesulfonyl)-12-[[(1E,3E)-4-(benzenesulfonyl)-5-octoxy-5-oxopenta-1,3-dienyl]-benzylamino]-6-benzyldodeca-2,4-dienoate Traditional Name: (2E,4E)-6-benzyl-12-[benzyl-[(1E,3E)-4-besyl-5-keto-5-octoxy-penta-1,3-dienyl]amino]-2-besyl-dodeca-2,4-dienoic acid octyl ester Formula: C59H77NO8S2 MolecularWeight: 992.37458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(=CC=CC(CCCCCCN(CC1=CC=CC=C1)C=CC=C(C(=O)OCCCCCCCC)S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC(=O)/C(=C\C=C\C(CCCCCCN(CC1=CC=CC=C1)/C=C/C=C(\C(=O)OCCCCCCCC)/S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3)/S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C59H77NO8S2/c1-3-5-7-9-13-29-47-67-58(61)56(69(63,64)54-39-24-17-25-40-54)43-31-38-52(49-51-34-20-15-21-35-51)33-19-11-12-28-45-60(50-53-36-22-16-23-37-53)46-32-44-57(70(65,66)55-41-26-18-27-42-55)59(62)68-48-30-14-10-8-6-4-2/h15-18,20-27,31-32,34-44,46,52H,3-14,19,28-30,33,45,47-50H2,1-2H3/b38-31+,46-32+,56-43+,57-44+