4-[(2Z)-2-[(2E)-2-[[6-methanoyl-5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid

Systemtic Name: 4-[(2Z)-2-[(2E)-2-[[6-methanoyl-5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid Openeye Name: 4-[(2Z)-2-[(2E)-2-[[6-formyl-5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid CAS Name: 4-[(2Z)-2-[(2E)-2-[[6-formyl-5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]-2-butanesulfonic acid IUPAC Name: 4-[(2Z)-2-[(2E)-2-[[6-formyl-5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid Traditional Name: 4-[(2Z)-2-[(E)-2-ethyl-3-[6-formyl-5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid Formula: C34H37N2O9S3+ MolecularWeight: 713.86058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=C(C(=C2)OC)C=O)CCCS(=O)(=O)O)C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCC(C)S(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=C(C(=C2)OC)C=O)CCCS(=O)(=O)O)/C=C\3/N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCC(C)S(=O)(=O)O

InChI

InChI=1S/C34H36N2O9S3/c1-4-24(18-34-36(14-8-16-47(38,39)40)29-21-31(44-3)27(22-37)20-32(29)46-34)17-33-35(15-13-23(2)48(41,42)43)28-19-26(11-12-30(28)45-33)25-9-6-5-7-10-25/h5-7,9-12,17-23H,4,8,13-16H2,1-3H3,(H-,38,39,40,41,42,43)/p+1