(E)-1-phenyl-3-[2,4,5-tris(oxidanyl)-4-undecylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[2,4,5-tris(oxidanyl)-4-undecylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(2,4,5-trihydroxy-4-undecylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[2,4,5-trihydroxy-4-(undecylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(2,4,5-trihydroxy-4-undecylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[2,4,5-trihydroxy-4-(undecylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1(C=C(C(C=C1O)C=CC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCCCCCCSC1(C=C(C(C=C1O)/C=C/C(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C26H36O4S/c1-2-3-4-5-6-7-8-9-13-18-31-26(30)20-24(28)22(19-25(26)29)16-17-23(27)21-14-11-10-12-15-21/h10-12,14-17,19-20,22,28-30H,2-9,13,18H2,1H3/b17-16+