4-[2-[(1E,3E,5E,7E)-7-[1-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]-3,3-dimethyl-indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-[(1E,3E,5E,7E)-7-[1-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]-3,3-dimethyl-indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-[2-[(1E,3E,5E,7E)-7-[1-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-propyl]-3,3-dimethyl-indolin-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid CAS Name: 4-[2-[(1E,3E,5E,7E)-7-[1-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]-3,3-dimethyl-2-indolylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-indol-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[2-[(1E,3E,5E,7E)-7-[1-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-3,3-dimethylindol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonic acid Traditional Name: 4-[2-[(1E,3E,5E,7E)-7-[1-(3-keto-3-succinimidooxy-propyl)-3,3-dimethyl-indolin-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid Formula: C38H44N3O7S+ MolecularWeight: 686.83686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3CCC(=O)ON5C(=O)CCC5=O)(C)C)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCC(=O)ON5C(=O)CCC5=O)(C)C)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C38H43N3O7S/c1-37(2)28-16-10-12-18-30(28)39(25-14-15-27-49(45,46)47)32(37)20-8-6-5-7-9-21-33-38(3,4)29-17-11-13-19-31(29)40(33)26-24-36(44)48-41-34(42)22-23-35(41)43/h5-13,16-21H,14-15,22-27H2,1-4H3/p+1