(E)-3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-thiochromen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-thiochromen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-8-propyl-thiochromen-2-yl]prop-2-enoic acid CAS Name: (E)-3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-1-benzothiopyran-2-yl]-2-propenoic acid IUPAC Name: (E)-3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propylthiochromen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-8-propyl-thiochromen-2-yl]acrylic acid Formula: C29H32O7S MolecularWeight: 524.62518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(S3)C=CC(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(S3)/C=C/C(=O)O)CCC

InChI

InChI=1S/C29H32O7S/c1-4-7-22-25(12-10-20(18(3)30)28(22)34)35-15-6-16-36-26-13-11-21-24(31)17-19(9-14-27(32)33)37-29(21)23(26)8-5-2/h9-14,17,34H,4-8,15-16H2,1-3H3,(H,32,33)/b14-9+