4-[5-chloranyl-2-[(Z)-[5-chloranyl-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]-1-benzothiophen-3-yl]butane-2-sulfonic acid

Systemtic Name: 4-[5-chloranyl-2-[(Z)-[5-chloranyl-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]-1-benzothiophen-3-yl]butane-2-sulfonic acid Openeye Name: 4-[5-chloro-2-[(Z)-[5-chloro-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]benzothiophen-3-yl]butane-2-sulfonic acid CAS Name: 4-[5-chloro-2-[(Z)-[5-chloro-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]-1-benzothiophen-3-yl]-2-butanesulfonic acid IUPAC Name: 4-[5-chloro-2-[(Z)-[5-chloro-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]-1-benzothiophen-3-yl]butane-2-sulfonic acid Traditional Name: 4-[5-chloro-2-[(Z)-[5-chloro-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]benzothiophen-3-yl]butane-2-sulfonic acid Formula: C24H25Cl2NO6S4 MolecularWeight: 622.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(SC2=C1C=C(C=C2)Cl)C=C3N(C4=C(S3)C=CC(=C4)Cl)CCC(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(CCC1=C(SC2=C1C=C(C=C2)Cl)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CCC(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H25Cl2NO6S4/c1-14(36(28,29)30)3-6-18-19-11-16(25)4-7-21(19)34-23(18)13-24-27(10-9-15(2)37(31,32)33)20-12-17(26)5-8-22(20)35-24/h4-5,7-8,11-15H,3,6,9-10H2,1-2H3,(H,28,29,30)(H,31,32,33)/b24-13-