(E)-3-[3-[2-(4-methylphenyl)sulfonylethyl]-7-propan-2-yl-azulen-1-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[2-(4-methylphenyl)sulfonylethyl]-7-propan-2-yl-azulen-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[7-isopropyl-3-[2-(p-tolylsulfonyl)ethyl]azulen-1-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[2-(4-methylphenyl)sulfonylethyl]-7-propan-2-yl-1-azulenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[2-(4-methylphenyl)sulfonylethyl]-7-propan-2-ylazulen-1-yl]prop-2-enoic acid Traditional Name: (E)-3-[7-isopropyl-3-(2-tosylethyl)azulen-1-yl]acrylic acid Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=C3C=CC=C(C=C3C(=C2)C=CC(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=C3C=CC=C(C=C3C(=C2)/C=C/C(=O)O)C(C)C

InChI

InChI=1S/C25H26O4S/c1-17(2)19-5-4-6-23-21(15-20(24(23)16-19)9-12-25(26)27)13-14-30(28,29)22-10-7-18(3)8-11-22/h4-12,15-17H,13-14H2,1-3H3,(H,26,27)/b12-9+