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3-[8-(phenylsulfonylamino)octyl]azulene-1-carboxylic acid

3-[8-(phenylsulfonylamino)octyl]azulene-1-carboxylic acid

Systemtic Name:3-[8-(phenylsulfonylamino)octyl]azulene-1-carboxylic acid
Openeye Name:3-[8-(benzenesulfonamido)octyl]azulene-1-carboxylic acid
CAS Name:3-[8-(benzenesulfonamido)octyl]-1-azulenecarboxylic acid
IUPAC Name:3-[8-(benzenesulfonamido)octyl]azulene-1-carboxylic acid
Traditional Name:3-[8-(benzenesulfonamido)octyl]azulene-1-carboxylic acid
Formula: C25H29NO4S
MolecularWeight: 439.56706
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O


InChI

InChI=1S/C25H29NO4S/c27-25(28)24-19-20(22-16-10-6-11-17-23(22)24)13-7-3-1-2-4-12-18-26-31(29,30)21-14-8-5-9-15-21/h5-6,8-11,14-17,19,26H,1-4,7,12-13,18H2,(H,27,28)


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