12-[4-[(E)-2-[4-(icosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonyldodecan-1-ol

Systemtic Name: 12-[4-[(E)-2-[4-(icosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonyldodecan-1-ol Openeye Name: 12-[4-[(E)-2-[4-(1-ethyloctadecylamino)phenyl]vinyl]phenyl]sulfonyldodecan-1-ol CAS Name: 12-[4-[(E)-2-[4-(eicosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonyl-1-dodecanol IUPAC Name: 12-[4-[(E)-2-[4-(icosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonyldodecan-1-ol Traditional Name: 12-[4-[(E)-2-[4-(1-ethyloctadecylamino)phenyl]vinyl]phenyl]sulfonyldodecan-1-ol Formula: C46H77NO3S MolecularWeight: 724.17348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC)NC1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)CCCCCCCCCCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC)NC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)CCCCCCCCCCCCO

InChI

InChI=1S/C46H77NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-44(4-2)47-45-36-32-42(33-37-45)30-31-43-34-38-46(39-35-43)51(49,50)41-28-25-22-19-16-15-18-21-24-27-40-48/h30-39,44,47-48H,3-29,40-41H2,1-2H3/b31-30+