2-(1,3-benzodioxol-5-yl)-4-butylsulfanyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-butylsulfanyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-butylsulfanyl-6-isopropoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(butylthio)-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-butylsulfanyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(butylthio)-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C24H26O6S MolecularWeight: 442.52464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCSC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C24H26O6S/c1-4-5-10-31-23-17-12-16(29-14(2)3)7-9-18(17)30-22(21(23)24(25)26)15-6-8-19-20(11-15)28-13-27-19/h6-9,11-12,14,22H,4-5,10,13H2,1-3H3,(H,25,26)