5-[2-[(E)-2-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]pentanoic acid perchlorate

Systemtic Name: 5-[2-[(E)-2-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]pentanoic acid perchlorate Openeye Name: 5-[2-[(E)-2-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)vinyl]-1,3-benzothiazol-3-ium-3-yl]pentanoic acid perchlorate CAS Name: 5-[2-[(E)-2-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]pentanoic acid perchlorate IUPAC Name: 5-[2-[(E)-2-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]pentanoic acid perchlorate Traditional Name: 5-[2-[(E)-2-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)vinyl]-1,3-benzothiazol-3-ium-3-yl]valeric acid perchlorate Formula: C30H38ClNO10S3 MolecularWeight: 704.27142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCSCCOC2=C(C=CC(=C2)C=CC3=[N+](C4=CC=CC=C4S3)CCCCC(=O)O)OCCSCCO1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1COCCSCCOC2=C(C=CC(=C2)/C=C/C3=[N+](C4=CC=CC=C4S3)CCCCC(=O)O)OCCSCCO1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H37NO6S3.ClHO4/c32-30(33)7-3-4-12-31-25-5-1-2-6-28(25)40-29(31)11-9-24-8-10-26-27(23-24)37-18-22-39-20-16-35-14-13-34-15-19-38-21-17-36-26;2-1(3,4)5/h1-2,5-6,8-11,23H,3-4,7,12-22H2;(H,2,3,4,5)/b11-9+;